#METABOLOMICS WORKBENCH carlo_g_20190624_171342_mwtab.txt DATATRACK_ID:1745 STUDY_ID:ST001202 ANALYSIS_ID:AN002001 PROJECT_ID:PR000810 VERSION 1 CREATED_ON June 25, 2019, 7:46 am #PROJECT PR:PROJECT_TITLE System-wide biochemical analysis reveals ozonide and artemisinin antimalarials PR:PROJECT_TITLE initially act by disrupting malaria parasite haemoglobin digestion PR:PROJECT_SUMMARY Artemisinins are currently the first-line antimalarials, and rely on a peroxide PR:PROJECT_SUMMARY pharmacophore for their potent activity. OZ277 (arterolane) and OZ439 PR:PROJECT_SUMMARY (artefenomel) are newer synthetic peroxide-based antimalarials with potent PR:PROJECT_SUMMARY activity against the deadliest malaria parasite, Plasmodium falciparum. Here we PR:PROJECT_SUMMARY used a “multi-omics” workflow, in combination with activity-based protein PR:PROJECT_SUMMARY profiling (ABPP), to demonstrate that peroxide antimalarials initially target PR:PROJECT_SUMMARY the haemoglobin (Hb) digestion pathway to kill malaria parasites. Time-dependent PR:PROJECT_SUMMARY metabolomic profiling of peroxide-treated P. falciparum infected red blood cells PR:PROJECT_SUMMARY (iRBCs) revealed a rapid depletion of short Hb-derived peptides, while PR:PROJECT_SUMMARY untargeted peptidomics showed accumulation of longer Hb peptides. Quantitative PR:PROJECT_SUMMARY proteomics and ABPP assays demonstrated that Hb digesting proteases were PR:PROJECT_SUMMARY significantly increased in abundance and activity following treatment, PR:PROJECT_SUMMARY respectively. The association between peroxide activity and Hb catabolism was PR:PROJECT_SUMMARY also confirmed in a K13-mutant artemisinin resistant parasite line. To PR:PROJECT_SUMMARY demonstrate that compromised Hb catabolism may be a primary mechanism involved PR:PROJECT_SUMMARY in peroxide antimalarial activity, we showed that parasites forced to rely PR:PROJECT_SUMMARY solely on Hb digestion for amino acids became hypersensitive to short peroxide PR:PROJECT_SUMMARY exposures. Quantitative proteomics analysis also revealed parasite proteins PR:PROJECT_SUMMARY involved in translation and the ubiquitin-proteasome system were enriched PR:PROJECT_SUMMARY following drug treatment, suggestive of the parasite engaging a stress response PR:PROJECT_SUMMARY to mitigate peroxide-induced damage. Taken together, these data point to a PR:PROJECT_SUMMARY mechanism of action involving initial impairment of Hb catabolism, and indicate PR:PROJECT_SUMMARY that the parasite regulates protein turnover to manage peroxide-induced damage. PR:INSTITUTE Monash University PR:LAST_NAME Giannangelo PR:FIRST_NAME Carlo PR:ADDRESS 381 Royal Parade, Parkville, Victoria, 3052, Australia PR:EMAIL carlo.giannangelo@monash.edu PR:PHONE 99039282 #STUDY ST:STUDY_TITLE Peroxide antimalarial treatment timecourse on ring-stage P. falciparum parasites ST:STUDY_SUMMARY Red blood cells (RBCs) infected with ring stage P. falciparum parasites (3D7 ST:STUDY_SUMMARY strain) at 10% parasitaemia and 2% haematocrit were treated with OZ277 (1 uM), ST:STUDY_SUMMARY OZ439 (1 uM), DHA (300 nM) or vehicle (0.03% DMSO). This was a 5-timepoint ST:STUDY_SUMMARY study, with samples taken 0, 1.5, 3, 6 and 9 h after drug or vehicle addition. ST:STUDY_SUMMARY Samples treated with vehicle acted as the untreated control. Samples from drug ST:STUDY_SUMMARY treated uninfected RBCs were also taken to ensure the observed drug effects were ST:STUDY_SUMMARY parasite specific. ST:INSTITUTE Monash University ST:LAST_NAME Giannangelo ST:FIRST_NAME Carlo ST:ADDRESS 381 Royal Parade, Parkville, Victoria, 3052, Australia ST:EMAIL carlo.giannangelo@monash.edu ST:PHONE 99039282 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Plasmodium falciparum;Homo sapiens SU:TAXONOMY_ID 5833/9606 SU:GENOTYPE_STRAIN 3D7 SU:AGE_OR_AGE_RANGE 6-12 h post invasion #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - DHA_i0h_a cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_i0h_a cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_i0h_a cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_i0h_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_u0h_a cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_u0h_a cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_u0h_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_i1_5h_a cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_i1_5h_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_u1_5h_a cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_u1_5h_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_i3h_a cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_i3h_a cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_i3h_a cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_i3h_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_u3h_a cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_u3h_a cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_u3h_a cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_u3h_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_i6h_a cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i6h_a cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_i6h_a cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_i6h_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DHA_u6h_a cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_u6h_a cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_u6h_a cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_u6h_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i9h_a cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_i9h_a cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_i9h_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ277_u9h_a cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_u9h_a cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_u9h_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DHA_i0h_b cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_i0h_b cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_i0h_b cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_i0h_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_u0h_b cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_u0h_b cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_u0h_b cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_u0h_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_i1_5h_b cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_i1_5h_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_u1_5h_b cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_u1_5h_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_i3h_b cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_i3h_b cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_i3h_b cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_i3h_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_u3h_b cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_u3h_b cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_u3h_b cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_u3h_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_i6h_b cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i6h_b cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_i6h_b cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_i6h_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DHA_u6h_b cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_u6h_b cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_u6h_b cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_u6h_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i9h_b cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_i9h_b cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_i9h_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ277_u9h_b cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_u9h_b cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_u9h_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DHA_i0h_c cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_i0h_c cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_i0h_c cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_i0h_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_u0h_c cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_u0h_c cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_u0h_c cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_u0h_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_i1_5h_c cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_i1_5h_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_u1_5h_c cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_u1_5h_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_i3h_c cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_i3h_c cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_i3h_c cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_i3h_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_u3h_c cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_u3h_c cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_u3h_c cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_u3h_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_i6h_c cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i6h_c cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_i6h_c cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_i6h_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DHA_u6h_c cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_u6h_c cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_u6h_c cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_u6h_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i9h_c cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_i9h_c cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_i9h_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ277_u9h_c cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_u9h_c cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_u9h_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DHA_i0h_d cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_i0h_d cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_i0h_d cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_i0h_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_u0h_d cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ277_u0h_d cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - OZ439_u0h_d cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DMSO_u0h_d cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - DHA_i1_5h_d cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_i1_5h_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_u1_5h_d cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DMSO_u1_5h_d cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - DHA_i3h_d cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_i3h_d cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_i3h_d cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_i3h_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_u3h_d cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ277_u3h_d cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - OZ439_u3h_d cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DMSO_u3h_d cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - DHA_i6h_d cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i6h_d cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_i6h_d cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_i6h_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DHA_u6h_d cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_u6h_d cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ439_u6h_d cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - DMSO_u6h_d cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 SUBJECT_SAMPLE_FACTORS - OZ277_i9h_d cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_i9h_d cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_i9h_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ277_u9h_d cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - OZ439_u9h_d cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9 SUBJECT_SAMPLE_FACTORS - DMSO_u9h_d cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9 #COLLECTION CO:COLLECTION_SUMMARY Infected RBCs were adjusted to 10% parasitaemia and 2% haematocrit and the CO:COLLECTION_SUMMARY culture medium refreshed prior to drug addition. Following the drug incubation CO:COLLECTION_SUMMARY period, 2E8 cells were pelleted by centrifugation at 1,000 x g for 3 min and the CO:COLLECTION_SUMMARY culture medium was removed. Parasite metabolism was quenched by the addition of CO:COLLECTION_SUMMARY ice-cold PBS, pelleted again and the supernatant discarded prior to metabolite CO:COLLECTION_SUMMARY extraction. Metabolites were extracted from the cell pellet using 200 µL of CO:COLLECTION_SUMMARY cold chloroform/methanol/water (1:3:1). The extraction solvent containing the CO:COLLECTION_SUMMARY internal standard compounds CHAPS CO:COLLECTION_SUMMARY (3-[(3-cholamidopropyl)-dimethylammonio]-1-propanesulfonate), CAPS CO:COLLECTION_SUMMARY (3-(cyclohexylamino)-1-propanesulfonic acid), PIPES CO:COLLECTION_SUMMARY (1,4-piperazinediethanesulfonic acid) and TRIS CO:COLLECTION_SUMMARY (2-amino-2-(hydroxymethyl)-1,3-propanediol) was directly added to the cell CO:COLLECTION_SUMMARY pellet, mixed by pipetting and subjected to automatic vortex mixing for 1 h at CO:COLLECTION_SUMMARY 4°C. Following the 1 h incubation, samples were pelleted by centrifugation at CO:COLLECTION_SUMMARY 21,100 x g for 10 min, 110 µL of particle free supernatant was transferred to CO:COLLECTION_SUMMARY glass LC-MS vials and stored at -80°C until analysis. A 15 µL aliquot of each CO:COLLECTION_SUMMARY sample was combined to generate a pooled biological quality control (PBQC) CO:COLLECTION_SUMMARY sample. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY Ring stage P. falciparum infected RBCs (10% parasitaemia and 2% Hct) were TR:TREATMENT_SUMMARY treated with OZ277 (1 uM), OZ439 (1 uM), DHA (300 nM) or an equivalent volume of TR:TREATMENT_SUMMARY DMSO (0.03%). DHA-treated cultures were incubated with drug for 0, 1.5, 3 and 6 TR:TREATMENT_SUMMARY h. OZ277- and OZ439-treated cultures were incubated with drug for 0, 3, 6 and 9 TR:TREATMENT_SUMMARY h. During the drug incubation period parasites were at 37°C under a gas TR:TREATMENT_SUMMARY atmosphere of 94% N2, 5% CO2 and 1% O2. TR:TREATMENT_COMPOUND OZ277 (arterolane), OZ439 (artefenomel) and dihydroartemisinin (DHA) TR:TREATMENT_VEHICLE DMSO TR:CELL_MEDIA Complete RPMI medium (10.4 g/L) containing HEPES (5.94 g/L), hypoxanthine (50 TR:CELL_MEDIA mg/L), sodium bicarbonate (2.1 g/L) and Albumax II (5 g/L). TR:CELL_MEDIA_LASTCHANGED Immediately prior to initiation of drug incubation #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Infected RBCs were adjusted to 10% parasitaemia and 2% haematocrit and the SP:SAMPLEPREP_SUMMARY culture medium refreshed prior to drug addition. Following the drug incubation SP:SAMPLEPREP_SUMMARY period, 2E8 cells were pelleted by centrifugation at 1,000 x g for 3 min and the SP:SAMPLEPREP_SUMMARY culture medium was removed. Parasite metabolism was quenched by the addition of SP:SAMPLEPREP_SUMMARY ice-cold PBS, pelleted again and the supernatant discarded prior to metabolite SP:SAMPLEPREP_SUMMARY extraction. Metabolites were extracted from the cell pellet using 200 µL of SP:SAMPLEPREP_SUMMARY cold chloroform/methanol/water (1:3:1). The extraction solvent containing the SP:SAMPLEPREP_SUMMARY internal standard compounds CHAPS SP:SAMPLEPREP_SUMMARY (3-[(3-cholamidopropyl)-dimethylammonio]-1-propanesulfonate), CAPS SP:SAMPLEPREP_SUMMARY (3-(cyclohexylamino)-1-propanesulfonic acid), PIPES SP:SAMPLEPREP_SUMMARY (1,4-piperazinediethanesulfonic acid) and TRIS SP:SAMPLEPREP_SUMMARY (2-amino-2-(hydroxymethyl)-1,3-propanediol) was directly added to the cell SP:SAMPLEPREP_SUMMARY pellet, mixed by pipetting and subjected to automatic vortex mixing for 1 h at SP:SAMPLEPREP_SUMMARY 4°C. Following the 1 h incubation, samples were pelleted by centrifugation at SP:SAMPLEPREP_SUMMARY 21,100 x g for 10 min, 110 µL of particle free supernatant was transferred to SP:SAMPLEPREP_SUMMARY glass LC-MS vials and stored at -80°C until analysis. A 15 µL aliquot of each SP:SAMPLEPREP_SUMMARY sample was combined to generate a pooled biological quality control (PBQC) SP:SAMPLEPREP_SUMMARY sample. SP:PROCESSING_STORAGE_CONDITIONS Described in summary #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The 32 min gradient HPLC run was from 80% B to 50% B over 15 min, then to 5% B CH:CHROMATOGRAPHY_SUMMARY at 18 min, followed by a wash with 5% B for 3 min and re-equilibrated with 80% B CH:CHROMATOGRAPHY_SUMMARY at a flow rate of 0.3 mL/min. CH:CHROMATOGRAPHY_TYPE pHILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME SeQuant ZIC- pHILIC (150 x 2.1mm, 5um) CH:SOLVENT_A 20 mM ammonium carbonate CH:SOLVENT_B 100% acetonitrile #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Metabolite detection was performed using a high-resolution Q Exactive MS MS:MS_COMMENTS (ThermoFisher) in both positive and negative ionisation modes. The PBQC sample MS:MS_COMMENTS was run periodically throughout each LC-MS batch to monitor signal MS:MS_COMMENTS reproducibility and support downstream metabolite identification. Extraction MS:MS_COMMENTS solvent blank samples were also analysed to identify possible contaminating MS:MS_COMMENTS chemical species. To aid in metabolite identification, approximately 250 MS:MS_COMMENTS authentic metabolite standards were analysed prior to each LC-MS batch and their MS:MS_COMMENTS peaks and retention time manually checked using the ToxID software MS:MS_COMMENTS (ThermoFisher). Metabolomics data were analysed using the IDEOM workflow (Creek MS:MS_COMMENTS et al. 2012). Briefly, the IDEOM processing pipeline uses msconvert for MS:MS_COMMENTS conversion of raw files to mzXML files and split polarity, XCMS to extract raw MS:MS_COMMENTS peak intensities and mzMatch to align samples, filter noise, fill missing peaks MS:MS_COMMENTS and annotate related peaks. Manual assessment of spiked internal standards, MS:MS_COMMENTS total ion chromatograms and median peak heights ensured signal reproducibility MS:MS_COMMENTS and allowed exclusion of outlier samples. LC MS peak heights representing MS:MS_COMMENTS metabolite abundances were normalised by median peak height. High confidence MS:MS_COMMENTS metabolite identification (MSI level 1) was made by matching accurate mass and MS:MS_COMMENTS retention time to authentic metabolite standards. Putative identifications (MSI MS:MS_COMMENTS level 2) for metabolites lacking standards were based on exact mass and MS:MS_COMMENTS predicted retention times. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak intensity MS_METABOLITE_DATA_START Samples DHA_i0h_a DHA_i0h_b DHA_i0h_c DHA_i0h_d DHA_i1_5h_a DHA_i1_5h_b DHA_i1_5h_c DHA_i1_5h_d DHA_i3h_a DHA_i3h_b DHA_i3h_c DHA_i3h_d DHA_i6h_a DHA_i6h_b DHA_i6h_c DHA_i6h_d DHA_u6h_a DHA_u6h_b DHA_u6h_c DHA_u6h_d DMSO_i0h_a DMSO_i0h_b DMSO_i0h_c DMSO_i0h_d DMSO_i1_5h_a DMSO_i1_5h_b DMSO_i1_5h_c DMSO_i1_5h_d DMSO_i3h_a DMSO_i3h_b DMSO_i3h_c DMSO_i3h_d DMSO_i6h_a DMSO_i6h_b DMSO_i6h_c DMSO_i6h_d DMSO_i9h_a DMSO_i9h_b DMSO_i9h_c DMSO_i9h_d DMSO_u6h_a DMSO_u6h_b DMSO_u6h_c DMSO_u6h_d OZ277_i0h_a OZ277_i0h_b OZ277_i0h_c OZ277_i0h_d OZ277_i3h_a OZ277_i3h_b OZ277_i3h_c OZ277_i3h_d OZ277_i6h_a OZ277_i6h_b OZ277_i6h_c OZ277_i6h_d OZ277_i9h_a OZ277_i9h_b OZ277_i9h_c OZ277_i9h_d OZ277_u6h_a OZ277_u6h_b OZ277_u6h_c OZ277_u6h_d OZ439_i0h_a OZ439_i0h_b OZ439_i0h_c OZ439_i0h_d OZ439_i3h_a OZ439_i3h_b OZ439_i3h_c OZ439_i3h_d OZ439_i6h_a OZ439_i6h_b OZ439_i6h_c OZ439_i6h_d OZ439_i9h_a OZ439_i9h_b OZ439_i9h_c OZ439_i9h_d OZ439_u6h_a OZ439_u6h_b OZ439_u6h_c OZ439_u6h_d Factors cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 cell_type:iRBC | treatment:DHA | treatment_duration_(h):6 cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 cell_type:unRBC | treatment:DHA | treatment_duration_(h):6 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6 Linoleate 6092226.442 1604886.813 6142723.658 574129.5303 2206108.117 2088475.791 2760738.809 865613.3853 426653.5309 1346887.751 4409589.439 707216.1533 482285.0685 1825137.878 1409977.645 594311.5745 3155804.99 1994523.642 801854.0984 778588.1458 1603011.995 2478056.06 939867.7107 568849.922 1778508.293 1617305.042 1622704.018 679789.6086 781099.7825 1505550.556 1717663.425 690179.3688 1545044.674 1430518.395 920219.4201 610313.2086 5258195.917 1632929.277 2214554.458 615478.8361 1838958.379 1386971.576 906316.4488 580985.8664 2414310.897 3370413.194 12736932.68 591173.8088 2506086.784 1817233.636 1196923.04 615773.1035 557174.738 1446580.331 1658618.687 654356.1608 3430383.285 1215481.143 871645.0233 492134.8525 2247592.647 3171399.782 1796817.491 478735.4947 562932.0387 2973683.721 4156696.783 684412.3494 3387767.036 1809542.805 1554892.104 538473.3131 948037.4297 1458333.962 1606053.263 576800.691 1807159.1 2120516.432 2332331.94 548726.112 2679695.614 2625167.224 2119407.27 881027.6775 Dodecanoic acid 11191187.36 1811810.384 5327629.783 485545.2102 2523417.924 1411549.711 2542907.497 501668.7799 602891.7028 868812.2011 4111098.825 469945.3227 494655.4148 1557344.574 1389644.5 442882.1979 3300633.863 1152716.362 915897.1259 484116.9113 1928478.817 2696178.101 937584.5652 423281.2964 1879378.049 1483851.842 1188253.604 558128.768 810900.819 835299.4553 1777399.687 529655.6181 2354735.013 1065662.689 1048046.795 468857.2923 5948744.554 1225261.848 1620740.397 494746.7676 1786313.377 953851.9311 776778.3921 419705.7838 2730328.705 2988348.261 11793456.18 448997.9807 3257034.457 1115398.58 1335115.734 387153.9796 652015.9587 809460.5713 1672610.792 387817.8485 5577092.951 908848.7884 847657.7565 476199.3884 2090406.166 1994075.955 1609874.577 328219.1014 717769.8631 2798190.981 6705685.329 542626.4795 1355485.954 1753189.928 1479943.519 340115.1145 1230102.564 998839.408 1254813.065 458590.8887 1768997.32 1323991.459 1909779.019 478870.1236 2952893.367 2020799.979 2014592.396 555323.8676 [FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid 188224.189 101123.8881 227838.1095 50104.26038 69683.4445 75568.98209 110692.4418 46561.81224 36430.63897 80661.14376 146208.9951 53638.65138 23563.18032 67557.63925 0 37561.77751 133683.4007 71722.9548 0 63041.15696 89331.348 134784.7781 0 22276.06808 42195.53896 84482.77812 0 48049.84437 22897.06779 82291.81213 62921.85472 41149.08967 47304.2261 89624.12738 0 43499.8395 268606.6899 84181.22473 0 37633.62265 186325.0013 105269.7012 44435.51054 36787.7247 233643.368 125528.1263 217989.3596 51375.89142 138301.5998 91458.76703 65089.97844 36521.27456 21912.72996 70622.41251 0 40985.63093 122367.0933 48162.81636 0 53866.65 116739.2488 122103.1332 0 39617.40593 30590.97828 110977.6962 0 27469.61178 334512.6042 90689.67227 0 46974.87318 23394.82735 92659.73484 60711.18257 45493.35104 98107.37105 65609.02564 0 35805.07286 132404.4165 138045.307 0 63868.1098 Succinyladenosine 0 19945.02196 0 23155.7937 76421.3951 52565.77637 59617.38618 42859.0253 32640.65425 22507.99124 38907.71235 0 0 48289.48709 64580.60091 0 28512.39904 126405.9761 219195.2423 131209.7858 0 0 0 25318.83958 58847.67715 37616.66068 91869.70231 0 39848.68788 18826.20831 70836.26857 0 30668.25178 35722.33952 85574.96484 22025.37092 0 19420.22327 69230.65297 0 56147.42372 118921.9575 272820.943 219572.3324 0 0 40411.80093 0 0 20569.7039 58650.20554 0 32386.66778 59259.56791 70524.09504 0 0 19898.19633 63582.00598 0 44827.86254 109951.1593 204602.9826 206401.3651 77575.30324 24562.46572 0 0 59666.9572 43252.2883 67938.86736 0 36281.04617 50847.35712 71417.13511 0 0 22920.55874 65704.40132 0 16472.58045 107163.1274 216651.227 142855.0631 D-4'-Phosphopantothenate 30016.12921 55581.69128 0 59034.82261 101415.1669 67483.14143 21001.13518 38744.69466 111600.7525 57212.11999 44260.2964 21797.8192 109864.4259 83604.78323 82833.13009 27098.08815 0 0 0 0 55965.65961 33327.01961 0 28963.77594 97095.58869 68340.71976 70234.56149 28744.64966 113507.3213 75179.71894 71896.41629 29550.22705 165986.57 87101.82776 86189.95522 52974.39325 94685.96999 53503.495 114199.0318 70414.91805 0 0 0 0 84594.80353 32367.57003 39022.52258 57413.66504 80965.86274 71578.78387 75098.03319 23332.81022 139359.4859 94564.65126 95986.50207 50257.00608 86988.52812 65992.63221 81181.51508 22766.58765 0 0 0 0 75107.30063 66057.58647 0 30423.12706 107606.5522 65986.74478 80671.14877 49163.84922 122449.752 88210.15307 72038.7436 55875.65355 74897.8606 69002.15045 72976.54467 74684.44025 0 0 0 0 [FA (16:4)] hexadecatetraenoic acid 154570.3979 106499.8941 1588172.724 66758.95775 44631.66807 68617.51727 1203272.201 45146.28044 36434.88806 95764.32383 2179452.312 76358.48672 33304.46919 90947.3911 495733.9232 50187.32113 170317.668 77565.77271 528478.4446 66171.83518 215312.0821 156449.4756 535028.7939 46252.66874 35366.00668 86838.54365 462128.2795 36438.81419 42478.15445 94805.28883 725756.4364 74014.81429 31990.73341 92966.39181 521186.4318 57290.91581 211708.7839 90893.52968 376009.1607 44305.35177 148008.0575 109858.1983 320176.6432 51357.68465 299410.6903 124525.2732 1266189.976 57773.51631 214657.2838 76325.16391 665710.4443 53844.72029 30076.09905 67168.73247 432351.1419 50598.68191 129487.6357 82708.65472 422472.4138 51616.38791 110859.2344 96837.50859 404072.8251 41091.69725 57780.08178 99184.35396 6323599.02 55157.66148 36222.54425 143423.2662 702325.0558 45904.16859 18570.78674 69686.95849 606502.134 45734.23955 136572.7762 64836.84591 525574.9887 47186.25477 214167.3257 157835.5858 577802.7552 87204.2489 FA hydroxy(18:0) 370128.0925 160420.8532 520906.9105 85420.42856 86259.15486 99881.93925 290675.4074 70471.24132 916640.3765 121602.489 659767.1734 76157.43003 64797.3898 141518.1001 180291.436 62479.2876 255283.019 131820.4635 202700.7499 94150.87804 309722.5573 211817.5491 170547.6003 54580.13111 101038.4718 168525.2016 165344.7211 61178.031 91418.10753 122603.0036 289133.6194 72966.96466 85719.61877 188344.2783 207170.8332 81087.05376 428086.7958 390202.5667 181254.4303 65160.15886 289101.7143 147537.7091 171898.7492 59485.9695 661586.4047 161936.0784 352529.8202 102643.7346 315119.8517 115805.3137 226879.8458 58419.73718 80360.3845 118091.5275 175712.0309 64034.10733 230447.4376 125415.7406 186600.5745 73198.38091 178666.5455 160726.1137 188773.9739 49491.92012 138916.5734 113122.1872 1460092.445 86315.99864 100909.8075 151243.5726 286551.1901 59253.64862 97372.0414 146149.5343 225076.4914 83598.74121 207603.05 96546.44138 200681.359 68815.7346 354225.8255 454876.7102 256634.8095 114069.2666 FA oxo(18:0) 530956.9854 293609.7099 859572.7551 178461.963 202411.6036 231615.6256 585882.8634 183557.3503 133765.3758 294126.4361 1643538.322 269510.6697 123978.6566 270569.8943 381478.9797 158295.7318 511516.9513 338296.8144 426510.0351 233632.6674 480562.5012 405518.086 346579.8882 127297.9484 161804.7034 252543.5497 326853.6841 138920.7903 157996.8678 430416.8562 594986.1763 186754.7861 129984.8148 338546.8308 458686.5981 178716.4913 754778.7425 355187.8315 359261.6648 148069.7272 513098.0225 393485.4277 345115.828 152797.5893 856612.2316 382079.1665 815405.2118 200177.8479 500604.0519 299748.8745 444121.1228 168993.5027 124007.4363 334587.0507 383343.1649 148499.0247 409152.4477 244921.9101 305523.9153 179354.8738 313371.6232 388317.8578 346104.4936 151685.2413 169395.5491 321533.5213 3037669.549 181371.1899 202813.1677 346159.598 488780.24 201156.6436 101336.0548 341109.0457 488664.1531 167977.0003 319924.9927 217646.0092 406638.0536 137791.0808 649052.9009 441587.4151 502873.2991 306294.403 Tetradecanoic acid 4308086.633 2370440.898 9465228.785 1054710.332 1745319.488 1871611.796 5784755.859 1273916.335 1053409.282 1901868.461 10403554.21 2296220.649 844224.7738 2624686.202 3647999.619 1128877.145 4487123.039 2260682.101 4292150.861 1350711.653 3178260.519 2982594.7 3700073.63 1000037.613 1240342.893 1866734.473 3509624.302 1250442.319 1210780.099 2410071.863 5367196.024 1223736.282 1019236.476 2030518.589 4623944.007 1352942.047 4886904.987 2421871.368 3844077.256 1132443.65 3164027.324 2030901.765 3033462.096 1048159.301 5598105.304 3184423.127 8176796.286 1117373.662 4041271.461 1883033.87 4462345.817 1139670.579 968963.8096 2126041.063 4050480.604 1324404.807 2785880.051 1503685.197 3334197.325 1071188.602 2584865.706 2194940.394 3770597.845 1091775.869 1400563.696 2216774.728 23840106.6 1002924.648 1324700.229 2462476.219 5031459.59 1244867.039 1150807.831 2080982.008 4640368.859 1223803.925 2791095.221 1676554.619 4335190.684 1090791.683 4086365.633 2857747.503 4583506.994 1672800.956 [FA (20:1)] 11Z-eicosenoic acid 194453.4594 108003.7603 189105.8183 32996.85697 91763.19019 123399.7374 173858.1668 71553.91162 54423.9781 84403.85464 132534.6881 72816.50977 19358.49441 137357.8215 62293.34914 29345.76035 152510.5734 120477.7302 76097.27501 31473.53055 128703.666 148878.7471 64212.14593 59089.42457 62070.09357 129950.1832 109685.992 93521.7741 29716.83969 121837.2217 103470.4848 48329.20114 61470.93748 118818.4108 79854.36784 57390.00852 209419.468 110770.2326 83220.41132 57825.69577 135043.3528 143752.7468 85221.51415 43744.58288 147717.6046 181806.1206 255925.6404 66262.0018 145211.3049 141078.459 49846.29033 53301.174 26632.86095 113773.1589 71045.50254 66798.66715 123446.7178 79811.01134 83229.39363 62918.8255 111416.3982 147851.1718 73303.05075 53174.02747 36079.14857 113849.6246 161423.389 31016.19954 138854.0918 122744.7346 92599.65475 64164.63713 53153.70735 174751.3745 117549.4519 31148.14399 107653.7877 81008.01629 59835.90169 54326.19326 152340.6642 119643.8566 69211.37452 69697.13608 FA(16:1) 767150.1456 571424.5712 1118267.386 284516.4768 495381.8927 417184.3497 593161.3886 262635.1707 242650.5281 548400.9677 1068227.464 380146.359 177063.5505 869634.3651 390186.1797 229927.5252 822303.983 633628.2567 349727.3042 285443.4277 671033.937 1281487.248 422277.5423 266484.7042 330753.5933 588323.3226 405909.7559 410162.4144 391468.4642 632952.9155 436995.5395 347609.3726 243322.2196 472043.0426 464146.8799 308762.1037 1177580.389 682799.8183 489525.7513 280196.2249 789489.3653 577901.8534 368999.1836 229792.968 1358813.737 1560741.934 1154162.462 274849.1265 882757.9784 538334.2793 373937.4084 228479.5632 282425.4655 519678.3568 470925.5256 299277.9023 690687.2654 385893.2067 424011.9304 264608.313 591599.3693 606513.8809 357840.1136 239660.1686 228187.4234 674580.9613 1348386.326 305469.0962 757417.4896 578555.3826 544123.0976 390466.1697 204460.98 750218.3347 524036.734 370066.4404 639544.2815 356593.056 624099.5057 260292.6063 984202.2551 737894.1203 638252.0211 373294.8382 [FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid 783710.4021 436711.433 854129.3384 211324.295 284426.6811 432792.5893 473213.6594 206406.2332 147980.174 363334.7072 796832.4197 231414.6067 160024.6232 436260.9448 319926.2684 193312.121 690140.0334 457981.5935 282946.8877 211890.1992 507662.4852 728333.7657 324001.2772 212484.6756 256888.9376 397219.4781 312345.1772 278669.5008 232181.3256 407052.3296 412738.5206 237906.463 264940.2258 407323.0007 380350.6076 226571.7226 952038.2477 553047.3849 436972.944 214443.8184 545161.3215 410750.2886 270569.8943 199059.5908 611024.5471 532799.2462 1386490.207 198711.6945 500084.2966 453814.0567 268274.192 218969.7901 197533.342 411185.7549 383767.7362 178089.8218 656419.8465 303953.163 272840.7233 152109.4697 466416.1867 555022.1649 354561.0354 154106.8274 178855.3762 615597.1591 759693.3902 191512.8591 425393.1249 478351.0253 336641.8612 198867.5206 176272.7115 501179.3532 412183.0924 208143.9014 558139.5095 371022.4824 378268.8701 189880.5554 679610.837 562913.0835 343273.6542 296642.8131 (S)-2-Aceto-2-hydroxybutanoate 717146.8679 312367.7219 154992.9248 487247.5208 1241867.373 296209.2454 209764.1729 249756.8325 809492.0813 182117.122 336886.7501 480762.2419 1239604.216 546095.1573 170126.1019 762239.1072 542073.399 153266.7926 171024.7821 481383.0537 435095.514 175678.8647 158479.6199 194222.8606 1307223.725 183557.7601 870068.4728 451263.3816 1187744.445 175320.5247 159357.8637 750330.0833 1229795.828 280938.2062 166307.831 982649.7744 709635.7224 152889.4544 873218.9677 809150.1686 493704.5229 159790.7247 639260.323 652568.02 1021223.061 191534.1767 80903.36737 203431.7455 522147.3605 167405.948 1005418.607 616091.9515 1270159.472 450238.37 168577.4546 953482.1706 1011266.085 121631.5727 177397.0878 194104.041 551675.0082 411028.7836 580061.3368 524710.6383 160454.3894 175992.4208 192649.8199 183666.7567 199087.5535 167749.8563 169918.0295 862940.9899 1387185.21 195319.6941 930872.2937 562933.533 777830.4237 835225.926 916980.6902 866052.5231 343267.0963 146216.8156 671247.4557 460567.5431 Bakkenolide A 394909.855 554672.8104 2233355.978 185836.5726 147676.2868 372218.7373 1837752.231 129648.5275 122729.6679 426623.2748 3146647.447 167461.0545 115947.7652 384102.8369 844076.5139 124895.2463 372098.7551 354493.244 895026.9473 165311.5974 393299.8256 722687.7647 894934.8126 148756.5332 100841.8942 401950.1183 892989.5292 115748.3762 152238.0863 442528.7473 1232857.476 132861.2543 112988.7754 444664.0925 878179.3189 136154.7488 388276.4831 403762.1591 796996.4741 135447.4794 353943.2176 402033.8646 632113.8312 99386.87221 550543.1211 524840.9955 1948625.296 159754.7879 398208.6472 355728.9231 866948.2481 142261.075 105561.0649 339967.1705 691495.9535 137368.3389 274956.7666 301788.8554 672853.7396 118195.0804 273306.577 402013.8969 829009.5231 97982.259 206807.5973 572566.0572 7626955.554 150583.237 118505.6326 565490.2071 1180148.12 151968.9746 119495.9629 379860.524 1180568.323 166518.7787 283568.6782 234415.2711 870854.5804 165209.8161 409416.8183 612964.114 894069.2827 185073.103 FA(16:0) 125208333.8 48629677.65 217766452.5 20852652.65 29915736.51 36603179.04 145849867.5 19720203.66 15270238.63 44479387.15 305604404.9 39631106.68 14663237.18 43039767.85 117110812.9 15721832.13 71004186.97 46763818.01 113762398.4 25757574.24 59721184 50458565.32 116110230.9 13816079.19 24665062.69 37761628.3 135296331 16581561.74 19420467.97 49804081.05 148873810.2 19396271.37 25491982.42 41774506.35 126348767.2 18290041.03 73144800.39 47458131.72 117884572 14578402.53 53352755 41725134.47 90313728.01 15717812.27 93732817.53 56156386.32 193412681.4 20945921.89 69628205.64 41057010.2 130639702.9 15432874.35 15980107.55 44606421.26 117254953.5 17994981.67 81635457.59 29127764.92 95571557.51 14233714.92 63809769.25 53600760.19 121522692.1 15996912.22 32457544.98 44261994.22 678368698.6 20627567.47 22826142.61 51886911.32 136152722.5 19994497.12 17946425.29 56816611.57 141463744.1 17059033.46 38466862.36 32893454.55 112588787.7 15362545.24 69914177.94 63714894.93 139694593.1 24478622.88 FA oxo(16:0) 644796.0493 328741.7442 992972.1649 219697.39 185195.7418 214012.4072 755729.479 188848.5607 152798.0021 380254.1193 1486164.607 265224.1146 123038.6405 324127.9702 387498.0792 185050.6726 729534.9713 384078.6784 583591.3828 308218.2228 607927.8307 555941.8437 400094.672 160854.0104 195047.9433 295215.8796 406460.8661 155578.2544 181072.7756 420243.3438 706658.4759 222688.2495 147597.9829 389929.5794 534433.2831 191193.2378 800979.7828 471731.8034 335450.5118 159207.8808 774676.9713 394317.4191 383058.2297 175322.1231 877412.0754 367372.42 1043662.691 198193.445 673153.1043 316046.4037 573039.823 154168.8427 177257.5339 341829.9347 420577.0293 190523.7529 465912.9427 258941.2657 331995.0103 169841.2182 372157.7556 417163.636 506999.1817 158501.3029 213948.3947 293645.1243 3519742.851 201905.7673 190449.4146 432696.9439 542222.4563 195684.1816 182281.517 301449.8577 541096.8991 180060.66 407676.9784 238141.1606 487260.3806 156792.8957 839429.9599 645546.2695 468329.9671 385953.164 D-Fructose 6-phosphate 4959942.548 1604699.19 1029709.746 1516705.948 13657184.06 1086682.566 1219382.625 1000948.962 14327631.31 971324.6152 589082.473 1053101.647 14469022.12 7550303.763 9245590.489 5503252.338 15336107.7 14345226.67 8976564.248 3885552.035 3895101.228 1243050.261 1782989.987 1533291.718 14336011.17 991422.3602 1045922.579 1018737.342 15292445.79 7022796.975 9207802.134 4975126.903 3771198.15 1337538.407 1594723.273 1189967.389 1562351.863 902881.8134 2208956.601 1392772.684 13417112.95 12749346.64 7441868.749 4824106.766 8188301.927 1642123.579 1210062.264 1411156.611 8333377.892 6665407.121 10345963.05 4890715.81 3973813.535 1674483.458 1740301.525 1265003.54 2484692.862 1518595.131 2723815.02 1349493.89 17845740.4 12805904.08 7124956.599 4755329.61 7212484.042 1515409.771 6456801.267 1422175.043 13806134.64 6092788.56 9978895.191 4801681.273 4279140.137 1523065.055 1979041.535 1304446.715 1836492.984 1863742.799 2102371.305 6634255.419 13797632.47 10866712.14 6978174.991 3142384.616 PQQ 44600.11919 0 0 201390.203 112545.2349 41054.97758 37498.54346 184666.2645 95596.23015 41236.936 26224.07124 186348.5693 64976.81114 0 64493.49011 120079.1411 0 0 0 0 0 0 0 153115.5939 108811.9387 35255.55824 80470.80279 219697.7033 99347.52362 37707.55565 61014.98721 190652.4709 50289.0872 26239.19229 53897.72232 122363.189 0 0 28144.55243 91047.73086 0 0 0 0 41890.89737 0 0 186196.0168 50028.56657 14627.18745 76310.27949 173322.7318 62844.0082 29370.22337 46158.7925 124290.5323 0 0 42230.51567 70689.57312 0 0 0 0 63588.89066 0 0 199652.8662 109039.1256 0 70012.52063 164146.1319 115984.0455 36843.40737 52092.07081 125185.3478 0 21245.70486 31500.48744 75458.51665 0 0 0 0 [FA (18:1)] 9Z-octadecenoic acid 11634402.7 6827883.123 12046654.82 3562866.167 4442965.802 6402632.678 7101590.412 3876473.175 2669327.968 6978505.319 12643208.24 4560401.363 2569583.013 7859902.285 5421200.853 3384290.006 12248969.14 9401391.488 5257773.208 4447162.069 9560327.139 10170809.2 5397574.898 3364486.93 3630403.83 7011977.159 5605594.41 4106339.931 3539987.059 8397683.115 8551734.185 4253003.719 3334025.847 7564203.731 5588808.982 3621729.494 11883727.02 9475003.531 5429027.44 3339355.049 10260145.19 8808639.499 5310651.249 3562018.833 13105236.53 8105619.144 13994901.34 3653132.724 11020906.17 8152050.433 5785085.522 3427950.269 3246617.211 8695506.174 5495032.742 3730998.379 7613419.38 5701587.17 4625405.34 3085219.635 7873120.765 9201847.244 5284999.746 3149861.289 3605003.683 7494684.707 18826521.95 3548796.322 6365956.22 8137316.774 7108948.02 3648360.085 2745910.381 10534934.32 7489391.992 3540333.005 7325328.331 6450297.539 5907465.611 3405648.212 12223405.94 10866712.14 6322276.808 5228559.648 FA (20:0) 1532606.655 758466.4342 2044069.108 356582.1992 440797.6062 735069.7957 1373486.162 428925.063 232972.2485 685666.9403 2160912.311 716784.7683 209637.4373 789200.6278 940821.1621 361625.2129 799341.585 796212.355 1129104.136 415938.157 815291.9347 670586.23 1168078.528 365428.7372 361317.0398 655329.814 1169797.644 402532.9854 282017.7676 817279.4616 1044843.515 376277.8332 430759.4764 703260.1786 965725.7802 345179.0592 1023885.223 867029.626 892395.8612 336870.6116 695385.2374 815142.3235 814501.8822 286921.9953 982038.4038 953735.2879 1971605.238 350481.7979 663332.5905 772591.3519 937864.3998 299005.483 228001.298 823480.258 1069904.719 329587.0031 876745.4501 604790.7485 1053457.15 321823.9189 654752.2953 763876.0125 1338415.668 290100.4994 445070.4067 797632.2666 4342615.594 401169.4253 256231.303 677791.6074 1158022.986 403905.4942 215744.4341 895549.0479 1034179.927 340827.109 553924.5797 743092.1553 907219.5042 333172.5328 920595.864 855185.5218 907443.2275 527458.3706 4-Nitroaniline 42116.2651 124088.1611 69765.93951 32216.00755 85809.52604 29920.81236 38805.6509 27570.57152 57208.21553 23429.84125 36630.11458 48983.54148 34175.42891 92212.36776 65729.66821 46178.76207 41603.47508 35652.69723 34209.58705 14124.3288 21426.98118 38612.71996 43531.64851 36422.79702 76931.44081 65551.5672 23514.74449 29256.44218 88809.97005 65758.18495 117276.2853 27157.3375 34807.96319 26498.44303 72091.84269 20535.6011 32848.08751 47296.67615 79078.211 23935.07505 23174.82394 26034.16887 41946.41481 17730.55803 43594.70694 60947.77756 53578.45152 41625.03792 15026.36681 26048.28688 54081.89158 24358.40053 23526.74998 51606.64634 75007.65655 12554.83863 46135.43262 26197.77377 47607.43735 15970.84986 52819.53704 31598.15196 35480.9065 18553.53927 38741.80189 80829.51241 21556.43559 44018.91466 76153.20054 36324.60157 100171.7691 29929.59709 38586.7207 54307.6673 41766.25403 50338.68665 38121.2746 46153.18027 115519.0418 14014.55246 36201.60329 26494.85145 113774.238 9035.464988 FA hydroxy(16:0)] hexadecanoic acid 259833.8683 119525.3816 572661.5653 67657.55094 100116.6603 96540.86074 301316.8695 80818.29896 85895.61517 124252.5797 530702.4589 92777.53631 81920.92214 136089.9609 210845.9388 91845.38749 211317.2955 161871.4719 133292.7442 99299.78736 233434.3499 164871.9387 171042.4427 83468.31182 87675.11526 133220.3622 190851.0967 76809.55436 73797.93953 119447.2988 255579.8936 80505.80783 75468.41579 156577.8026 208541.8807 71405.64372 340433.2257 181074.6029 147373.0709 75670.9038 320407.3904 162719.5128 134514.6019 89568.2107 319928.2236 153210.8483 328285.2753 69765.80981 327921.3764 161897.3064 203922.1648 68419.34877 99500.50302 119610.0416 138210.7317 72991.14984 227450.62 148511.3966 176185.9763 58337.15716 176359.3227 139210.9128 193091.5964 38744.12304 93308.67697 120891.0231 1177021.746 88516.05445 114281.5522 152599.9236 207226.9146 68397.28036 96114.62733 169873.3819 181206.5442 82878.95218 207307.9163 110470.0931 152427.531 80226.82518 357188.4388 213463.4652 142688.4998 133939.2946 FA methyl(14:0) 2132818.426 1226571.599 2342383.003 595682.6695 961356.3034 935403.9534 1252436.667 558410.9169 556154.1682 1091951.421 2373044.394 1428684.851 445745.4164 1765592.207 959925.6339 521746.0195 2550161.433 1118691.733 888272.36 555546.4427 1590149.392 1943875.786 986323.3287 493816.5359 684882.8431 1059550.492 838705.0524 648919.0134 555563.825 1244808.939 1116963.302 558647.3595 435497.4924 981106.2046 1037158.254 505039.0117 2388673.809 1273380.944 1014328.98 465755.0502 1696474.954 1048765.988 766065.501 477745.7988 2655790.719 1668773.07 1746426.883 541470.066 2098915.134 1023908.175 1064311.576 505407.1805 509196.6779 1077837.67 1062421.325 563098.5716 1498484.424 812566.9296 940376.7746 492687.3333 1283325.152 1093044.78 994706.419 437698.3265 712192.1165 1269716.699 3615459.089 484466.4085 607831.1847 1211445.023 1298565.576 573265.2493 443872.328 1259648.14 1141328.499 559933.0978 1562123.115 881954.5177 1136948.088 494487.5852 1966092.249 1399834.809 1141606.509 819883.2154 Indoxylsulfate 29130.26337 69656.42695 56505.59044 85869.92678 107478.257 114450.2745 92481.435 130736.2955 105141.6242 94510.65201 68767.58928 70978.09368 158361.0801 123050.1605 154131.7669 90138.33605 40153.93204 118733.572 144943.7664 109664.1402 53165.24979 76212.01627 0 43680.82394 159108.1727 109770.6459 114683.2521 79896.75572 123638.9698 78203.41102 150083.0872 72755.33272 116410.0222 96186.56728 149195.1159 74888.43733 73459.2168 86323.60665 132024.8965 100717.801 62982.90016 87445.91541 152124.5375 91787.18895 28440.36688 73010.30195 67685.01601 55282.7203 54223.13534 115117.0191 167633.4528 106660.1395 162027.5106 117857.5947 113698.8439 86586.77576 101984.2363 82794.59038 179869.391 104916.4224 90231.44118 94400.12736 129841.7342 98152.73952 70243.86071 34138.5144 84000.92417 51596.35456 145745.2657 79646.78225 127417.5159 109485.3253 154393.9134 115120.4666 158765.5261 64042.91385 84951.13027 103266.0022 150829.9594 90226.54858 59965.73912 60984.09603 151095.0913 64043.33479 PS(40:8) 198482.131 508089.9893 751077.1564 117551.2646 113785.8205 469974.1153 615779.7734 148241.8279 84178.95786 641420.7354 942653.9456 147272.7778 70351.74332 716162.765 324601.8956 109956.2669 175262.3801 427392.6264 224712.4547 128677.3454 299774.1647 682685.2624 289565.4693 155376.7758 85038.82103 610015.0891 352938.3045 109145.0761 84025.92805 698856.0722 563226.7887 116956.2247 86311.1833 790516.9958 237609.0953 131592.4719 140327.8447 811373.9539 344598.007 124382.8749 201371.8372 586833.4951 199850.3646 118081.7731 236225.0345 534849.9057 855357.8538 165453.9567 199725.531 711229.9288 236097.6167 143030.0894 80582.76487 411456.9061 246614.7551 116891.9581 218365.1397 671110.8159 235458.153 111855.0695 149795.5422 602705.5622 203737.8523 108638.0705 77821.68316 500026.6942 434022.4421 118164.5846 72661.65066 686429.8074 340426.389 138502.8696 71325.74204 593686.5439 427391.0764 129407.3253 254755.7599 658797.8605 223161.2732 121328.1015 172313.3739 509308.5306 228388.3184 153555.0016 1,9S,11R,15S-tetrahydroxy-13E-prostaene 302829.0633 137823.7778 305606.7749 79641.93076 77584.5784 70473.98795 175130.8611 94148.49054 67972.0842 188240.4346 438797.8945 114244.5828 50078.52063 189351.8923 118468.8828 69129.85509 414381.4746 257984.4146 115850.5744 130650.2355 270569.8943 186456.9369 154382.8924 59025.12429 78230.9966 117028.5 109067.3627 58439.74659 90332.55937 247083.092 240832.9154 81822.83582 80748.4554 193323.116 103799.0726 98301.14036 201253.4936 174172.9927 124570.0334 66753.83203 308019.005 212455.0883 119983.0028 91793.32276 443897.4689 146054.4674 187332 78765.39888 252588.8373 188721.565 138696.1421 83416.65449 79623.49491 227696.4325 130832.4717 81218.11087 118112.9031 159538.0177 109533.0009 57691.25324 176420.3629 216680.9293 147199.6639 75439.89705 97261.10511 114201.3894 852002.1167 69641.15209 79702.27598 175209.7465 155466.2716 79809.18319 75533.6327 217638.2086 222616.2387 87177.96189 129636.4998 161818.543 119490.7149 58407.36943 349206.0685 331350.3128 155520.3185 195063.9611 Decanoic acid 964276.7475 611964.1993 1112498.561 255549.6615 468886.0847 439336.7815 553682.1515 223561.8891 355194.1163 494568.5666 1173433.406 232177.0706 367999.2456 478346.1778 525881.3723 261743.0038 831625.8344 579070.3508 457755.8111 229143.0747 818445.5776 720944.7104 498033.7585 105428.6386 408445.5913 482469.2596 388043.8118 234079.1686 329451.5862 488610.3578 607955.2473 242862.3292 340573.3104 556810.408 517555.0484 250065.4189 955452.2278 612257.2742 385852.73 208638.58 863072.167 650551.8321 355425.4954 216759.8074 955047.3664 557419.9876 953000.7915 238066.3228 936923.6494 448261.5317 604438.7249 227991.4413 399633.2748 462589.1353 612638.6517 223355.6808 651072.1474 435391.6184 392560.7698 197314.2376 668890.6862 565976.6286 503503.9938 217416.4264 394308.6285 418048.6126 2099552.913 249085.6956 542935.3913 576241.7533 477693.5711 261754.646 383938.7452 546042.7536 557677.043 219320.5892 640690.2044 329978.3469 446398.3694 243794.347 1013370.821 790956.7549 505980.9547 319976.6876 D-Fructose 3735343.547 3359097.199 2174567.144 3647279.666 5383531.888 3749560.391 2494065.569 3168070.293 5582464.619 3410683.098 2115818.322 3114440.96 6476006.076 3249991.044 3620798.212 3385268.644 2058075.405 1653715.907 1828575.464 1318264.647 3264118.383 2914038.212 3221784.64 40212.1838 5020604.677 3267071.563 2998372.18 3268981.021 5910755.932 2830846.506 3250592.954 3296245.512 5478092.305 3068937.683 3621249.122 3216615.477 3096699.356 2608444.784 3376134.654 3271654.957 1976588.756 1467436.083 1699683.246 1508637.289 3333872.364 3234554.809 2664292.315 3578386.614 3464578.197 3067446.373 3449198.097 3038840.205 6152654.791 3379393.18 3448138.509 3372048.986 4332871.972 3132021.943 3789926.17 3500293.478 2426811.869 1462871.43 1676318.519 1303551.777 5556555.11 3168035.19 1995895.132 3832973.23 5194673.21 2535803.39 3180730.136 3234969.44 6375880.039 3407281.616 3606619.034 3398361.805 3614283.382 3516807.278 3769998.025 3364589.439 1891796.629 1294082.253 1774402.149 1148965.361 FA (19:1) 173793.5822 105984.2682 277159.1911 47083.50089 59823.72843 112727.583 158600.6879 53696.39946 27581.69548 90527.05192 186200.0385 36519.09695 26290.0698 127399.3667 124353.3021 70231.09983 112825.7029 135118.0801 63988.45365 69191.61531 141594.1438 165822.0519 93812.81114 76429.11524 30413.28283 126919.4241 68125.16147 58034.57955 57645.35962 115126.0776 72992.5925 62756.16041 29755.48601 104960.9181 76233.08691 68010.13629 156751.1957 108977.9167 54866.79793 46030.78397 139605.3685 114306.4526 128049.9316 46637.82067 248893.6378 104386.3766 178464.6968 61545.57159 138373.3104 118333.3641 112563.667 59413.62355 44520.74336 106293.8052 56814.02774 58676.19576 125192.9758 114476.6674 54157.33018 50520.54277 109259.7724 155090.0302 136186.914 59908.01225 46110.0944 106649.6651 0 85174.65338 57706.52204 140758.3816 68642.35832 51731.6091 24271.47021 139355.0926 90987.22451 75016.24818 115063.1083 108707.9517 94503.80456 57804.73996 139000.9031 120914.2823 73420.59391 87282.47273 alpha-Irone 1936803.395 1362054.13 5237725.665 1702933.04 645884.8159 879577.6513 3927189.814 1534625.161 582782.0592 991236.6388 6122485.15 1487240.473 435419.2747 989325.4882 1645521.61 1222278.866 1728848.011 755177.4593 1770564.862 992192.1819 2661085.766 2600279.086 2246304.812 1596430.551 448146.8257 1083251.844 1640730.507 1221014.215 512106.6579 1019596.173 2530736.019 1287322.527 498229.5133 1225949.736 1389145.333 1445021.088 3133527.855 1505194.49 1414972.462 1277848.029 1632708.546 930406.5587 1097776.953 718120.4564 3423482.239 1664125.466 4612932.942 1627075.787 2166126.002 1170001.853 1865821.663 1377234.612 438743.8106 882463.7191 1354328.381 1422003.534 1589393.731 1135994.933 1256352.091 1479494.267 1246096.819 999439.0844 1380654.026 744805.4316 798688.5857 1645612.118 15450026.17 1518302.698 423858.8031 1731138.844 2271082.591 1330236.334 392495.7005 903998.1558 2216718.638 1394047.156 1806936.507 983725.7009 1570178.943 1337775.537 2282702.308 1455848.899 1815253.922 1196518.467 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose 81340.84442 82491.93318 0 79325.87468 119233.9525 72119.56541 61014.22973 98466.40102 106511.4831 71417.64856 64135.5411 79053.13847 104306.3019 67978.18868 98782.79868 94814.76225 71758.71538 59625.97643 68388.70601 73000.62826 80226.69394 72078.86425 0 79650.79215 73025.10037 74962.38405 63908.11318 84717.06031 128642.4083 48716.40635 87062.16261 75098.19813 96583.67682 54834.17949 57379.7473 115073.3116 53909.34873 45218.95112 81313.36112 71081.21851 76253.17094 84896.33584 73140.2107 64833.22903 65711.68872 87712.41793 37185.83919 109274.4203 39844.26011 84028.39381 65019.39793 92277.92128 112419.2941 88857.67783 69933.33957 80729.67993 94657.9531 87549.97131 82117.83805 77419.87749 92876.82146 60186.23351 76527.53874 87439.31082 139055.0423 75559.27981 0 86756.14543 116863.9178 72983.97052 105560.65 97964.89133 156190.2614 75934.86533 99794.91459 86007.03397 78114.97839 73570.24156 72380.01911 88994.61855 61347.44845 56620.38308 78628.23976 56681.64791 D-Sedoheptulose 1,7-bisphosphate 958976.7923 325424.5549 446659.7199 306049.4537 2951548.579 584045.897 506834.8203 307940.1938 1636706.712 597168.936 312072.1962 273894.3646 1199016.181 454977.3116 806735.8853 157935.469 2739202.363 2464759.362 1645725.85 1224602.458 734869.424 229819.6569 752637.082 255763.7709 3278463.438 410896.8312 1034841.618 296743.4031 1422994.917 579459.3623 386915.8795 315841.5979 645182.7406 264214.1864 519525.8713 154919.3177 158262.0959 142429.4192 764608.9332 114468.7946 2318135.375 2364130.858 1697858.783 1675174.629 1579445.059 223088.1092 409268.4573 346529.9986 702653.9983 507008.7049 542488.1612 271090.3451 831617.6553 463905.3593 566263.4148 163606.8378 357207.2914 315115.0732 1103214.418 104095.1749 3694597.636 2161927.809 1777311.905 1374246.524 2337200.424 262888.8166 673938.5187 310223.9675 1509033.872 389955.474 538543.003 264532.399 1160939.69 538421.978 736754.9862 175630.6719 301284.4714 420595.9209 915788.6891 149000.4491 2024701.397 1883459.396 1729384.249 916169.6704 Digitalin 64859.81271 85644.00033 0 63207.79277 69562.61587 73029.42887 58975.6479 94853.69625 98331.4483 57288.54731 68145.19914 98040.77084 99212.16979 71309.81362 79313.80707 88313.92652 110274.6357 91888.55965 127246.4644 191343.2413 35246.45823 54548.38188 0 105626.0273 71589.8923 74418.41173 95697.79848 111863.1438 79966.4155 68768.96351 75118.66299 93957.92539 79839.25459 57861.94592 90290.31307 121870.1719 68057.34605 60395.07635 74748.21649 79344.67876 81848.61883 92322.35336 134578.6786 163446.241 53767.27726 79396.9468 71884.29106 34411.25462 77657.15471 65069.79605 83816.77434 89919.60562 46236.3211 76826.25267 94595.10186 105155.0409 62997.52589 56379.03011 63283.11407 82460.37589 79377.20778 93507.39842 187543.9635 169410.2128 89845.77669 80691.62705 0 28366.65088 73292.87146 64951.2934 93205.01504 107399.4168 96158.68168 59703.76462 79517.38974 94918.00224 46059.6149 65844.11693 84560.7663 97135.50065 103946.0905 115645.9424 153332.1679 174635.6878 4-Hydroxyphenylacetylglycine 200006.0473 93644.56542 155968.8301 189539.0797 193842.5335 110586.5239 118424.7523 117576.0729 147483.4495 150908.5193 127031.1786 153433.2075 174331.5667 185749.7174 146759.4817 172961.224 84507.95967 114153.9521 145375.9857 90907.41156 181386.9655 100171.5765 0 167596.5557 130102.5848 117659.2713 137812.682 136447.6828 199179.2982 160063.0231 164100.3121 162688.7348 163451.4332 156594.8078 198921.0892 143321.0617 80065.87667 159400.1168 140371.9103 171754.3747 83472.1696 93689.84148 141539.0552 175400.2257 154376.4994 145704.9314 112817.0372 142108.6745 111454.0263 153114.7959 157800.7329 160327.1971 189846.0999 113447.1906 157093.4392 153735.5464 143811.8762 160488.1995 202317.9552 145996.5397 115789.6707 134836.6207 139017.5926 174276.528 183832.5207 143508.0318 143350.0238 165642.3665 127272.485 159465.7653 167988.728 183729.5067 199648.1436 141147.6493 166139.818 116817.8474 114328.2533 180055.6725 129043.5108 147271.0071 95161.68227 91132.03354 158839.2045 131838.3934 3-deoxy-D-galactose 209249.4245 292070.6818 217198.1458 149773.9196 106549.5816 75160.024 73622.61858 180283.4129 94845.16355 68993.26386 64961.19905 140947.459 71023.84882 46442.96172 59619.99078 112041.4934 51125.30197 55727.52052 60936.02603 49633.9755 108976.3595 126690.2919 340272.6374 163223.0817 105576.7779 90058.03675 197205.5183 171571.7612 83901.53033 39091.97166 68705.51216 167507.3365 71063.4582 38959.9034 68116.17933 113827.7211 44140.52497 26301.33906 37004.27264 80835.04445 43080.93767 53092.12475 60956.86004 52520.82411 149551.7545 283060.6543 243836.3895 323682.9467 92385.60268 49313.29842 64232.34715 141848.905 72268.317 41474.3117 51535.6331 112740.8634 42178.23364 25765.23767 42369.50509 71169.59996 45834.83703 52609.78235 66811.16206 51323.61455 277238.7336 264646.0063 95803.05591 325085.7724 100605.9934 50580.86782 65842.02426 173913.1677 68064.26949 40801.3518 53618.90174 96799.61961 35781.31617 36563.09556 43483.48149 79914.2845 35637.21126 42073.00889 73182.30591 43547.00907 D-Glucose 6-phosphate 7330721.352 5421204.34 3278061.576 7149795.469 6944177.795 3247698.855 2823432.665 4668277.778 5372650.126 2827185.056 1998871.897 5170149.385 6304807.441 3297563.547 3335923.518 5675292.229 1630565.967 1717823.063 2360924.385 2527222.821 5716883.207 4408852.478 1215393.554 6499657.59 5552171.95 2824660.406 3853849.61 4528272.128 5800568.7 2328263.048 3416755.058 4975126.903 6100484.953 3183993.045 3787616.683 5823986.454 4075809.297 3008622.805 3546672.329 7136562.118 1452312.503 1552006.943 2219258.542 2649467.33 7490273.635 4931178.766 2988132.759 6451420.777 3332661.795 2487698.013 4266955.291 4890715.81 6619428.469 3557960.713 3505179.221 6183206.836 5585658.146 3307789.322 3282867.796 6825735.011 2248052.475 1625018.043 2335775.73 2640600.303 10067707.71 4844061.25 755522.7784 7029720.288 5176974.665 2011916.693 3904827.101 5138808.489 6501731.707 3142470.059 3481369.803 5841152.373 4418246.608 3426182.674 3526574.302 6692469.982 13797632.47 1418333.432 2243144.391 1751341.623 (S)-Malate 3793303.926 4653084.735 3524042.353 89286.07292 6500641.697 5423225.671 3240071.497 3528959.203 6765562.647 3642629.952 2627878.912 2799892.686 7034956.538 3239754.665 3880564.964 3339070.321 2736031.075 3630803.21 4520652.859 4484235.482 3647098.31 3802997.827 5066781.118 76676.4315 6517964.09 4302530.517 4891935.165 3455790.609 7434513.994 3375483.649 3750272.408 3145885.198 7305913.258 2934870.058 4177780.369 3605092.254 3603444.045 2934824.787 4179245.509 3645988.851 2305003.179 3376388.223 4085508.734 6015164.993 5006284.973 4235343.484 3566850.627 3377930.961 4491937.245 3619404.11 4770852.352 2883822.65 8016545.829 3650736.94 4243126.244 3253330.923 5348933.161 2805253.004 3891955.758 3468380.38 3563853.969 3487201.429 3968745.803 5845442.05 5615669.652 4107400.675 3256339.346 3724465.843 6259425.784 2976204.645 4139626.276 3374919.295 7934130.365 3240893.133 3725875.167 3318813.874 4574010.043 3434840.733 3842105.907 3627821.674 2352217.142 3010792.245 4304941.918 3746690.043 Octadecanoic acid 111911873.6 45306465.06 153561753.7 20852652.65 26478213.99 41510867.85 98684487.48 21943559.95 15175977.9 41064994.36 208793553.2 33580556.04 13303731.74 43302205.46 103902826.5 17967808.15 66722027.02 51869746.14 103985942.3 24417584.83 55950392.52 48239322.87 110133969 18802333.34 21637582.07 42505551.46 123227644.2 19823766.55 16512088.71 48723191.14 111870493.2 20231517.51 25945576.41 43550345.69 92365305.67 19213780.48 66051412.95 49951553.7 100450938.2 16540879.79 50590408.22 45665841.61 76933916.46 17464235.85 66914816.96 55003277.78 144666395.8 20848043.75 55617131.13 46412272.4 99952524.35 15781639.87 15118904.15 50316043.18 100261482 18186417.65 61096046.09 32609509.42 84711153.25 17098943.25 54437006.43 49459928.93 106766365.2 16996719.24 33117698.44 44146427.66 488057118 20525450.8 15923075.29 46425131.19 104017297.3 21947448 14378130.21 68251967.62 103681501.9 18291074.77 36145586.19 37105967.8 89023692.56 19060935.76 61580037.52 56366183.12 96644058.12 22328942.11 Bendiocarb 73326.59346 42955.01088 66355.38036 36123.98669 41366.60234 35475.92829 45164.32928 20674.06806 46663.05753 51284.65553 68770.75573 32699.49188 34803.38083 48107.44491 21495.98585 39036.86905 107179.9504 40161.78138 0 26612.48632 90330.24946 70684.38245 34922.20629 24019.44317 18546.55358 36036.94539 21325.49612 28249.38478 36765.00328 53127.43426 55288.08858 40726.0433 37342.77045 60045.40249 25500.40631 33953.59493 129432.4707 41146.08917 24982.85299 32085.74762 106304.3162 57450.28849 20040.67276 26633.95035 135461.7675 36658.341 46915.20406 39420.78397 113454.489 59526.88051 40099.22045 43676.53983 31712.70137 34691.89837 20004.52715 31187.4311 72652.76954 39373.36202 0 36402.0652 82665.2667 47172.34132 25600.9777 30553.70621 23297.59128 47191.16874 0 34759.60123 38303.80107 62018.97352 39003.76119 42118.25561 20447.72062 43795.59525 51917.249 27162.66066 104578.4789 32929.56831 20000.56932 28684.62464 147518.2065 46937.44751 29506.0384 42257.86155 N-Butyl-beta-carboline-3-carboxylate 99578.68825 76670.72918 117992.4023 77445.06315 75742.50617 72937.32183 91167.25564 61508.12858 48824.31252 82831.29462 133341.2119 68702.61986 65523.79207 73810.67318 54761.87667 64603.57734 150747.3257 90707.79472 54686.08276 47485.54326 117726.2439 99594.13546 60949.97403 71550.12561 53734.87317 71767.1072 59463.41732 61834.00574 52173.35179 101050.1628 71674.55774 73467.54681 63317.17135 88015.64508 57800.13607 73842.67767 178530.9324 97697.70816 51905.13938 67445.73668 131411.8657 99370.54468 38936.22506 54509.28516 152957.4345 94423.15835 99576.25372 73612.32128 143819.9021 99299.49779 55031.20766 66070.84212 49793.31541 62138.77301 39097.79267 65208.89607 120201.072 95790.12209 57847.73288 67990.2652 105999.3162 107709.8506 39406.22848 55418.85086 63377.62866 75845.4154 109928.8706 89266.18915 38876.11568 105646.2958 55522.44335 66838.93745 45505.43333 79754.06744 85704.00537 61390.78575 158688.8644 93068.163 52777.74659 59905.10646 149199.9521 107792.6785 46890.23498 55363.74408 Erythronicacid 132926.2712 19108.74503 302387.0457 0 318238.3152 42103.75644 30873.63295 0 258422.661 35387.09923 23284.1909 0 283400.5606 34567.60524 57699.89695 0 600478.5129 223166.5689 345574.56 2268474.402 119879.4725 0 51971.87115 0 299252.7967 30448.50385 52010.19931 0 360531.1368 25628.21471 47056.85737 0 276429.8184 20308.26547 67875.66737 0 90180.86292 15103.59523 39735.75923 0 679829.2294 203711.4512 329247.9986 2727025.053 138877.1299 33277.61367 39936.55843 0 158893.4341 30654.13113 87084.23278 0 269180.9048 30297.85572 41345.58752 0 122236.8046 22578.93061 43148.96309 0 892557.9866 216409.3071 382690.8803 2933384.146 278246.7398 27086.21151 24166.75899 0 257831.8942 22099.55121 50462.63344 0 350055.1596 35854.86037 77170.39447 0 134244.3366 0 46586.24969 0 616435.8534 171500.855 331718.6765 1720143.515 PS(38:6) 488253.7414 567325.9077 844675.362 381630.7707 269718.4397 667481.7189 838730.5249 458399.3361 193298.8048 867206.9751 1123604.355 451383.4151 153770.6554 916022.0172 358426.0904 340245.539 336622.3359 516272.2469 328920.978 366857.2528 528579.072 787383.4274 395238.6124 368270.8371 228359.9831 860760.6029 503081.5816 422352.8729 175872.054 810651.0082 634508.5694 391913.8438 214107.081 1003936.205 321404.0062 372349.1807 520285.3446 1137888.705 396799.7289 320637.9167 384625.7131 718673.2814 258087.5231 275507.7171 543868.2922 633617.9409 885337.3108 381084.377 468504.0074 907037.7596 360277.5863 333088.8116 189700.8166 436862.5491 305582.1278 382773.6601 461289.1274 1076379.506 375165.6603 358501.2099 310118.3372 675233.5636 206373.1994 253462.3482 229279.221 656964.4276 574923.2275 403679.3893 172390.8467 1032463.875 444782.7731 364323.045 121197.3723 594808.5256 510483.0136 393455.4119 507495.7401 824375.6794 298065.5054 365848.2279 330510.1897 551221.156 273783.4739 395602.2835 N-Carbamoyl-L-aspartate 366849.684 134244.7124 101535.5838 164184.6059 747481.0843 188237.2639 148796.5133 133004.1793 834264.8032 171297.6783 123136.6866 106610.9268 652510.7163 154514.1745 204308.9486 103139.7005 465124.5408 163983.9736 278731.3742 85637.0599 278476.0083 95888.99521 163316.0032 119427.6445 779187.5288 179223.2968 215100.0263 148257.2257 912994.6647 152996.5235 221308.6234 148427.5161 690758.6177 156439.2369 222997.2825 146081.9024 288998.4803 143763.7117 241029.4318 166622.5112 407787.8183 129751.7548 256139.2449 88727.79181 399526.8591 135263.02 141692.7496 123764.0477 446992.7898 159489.8557 270569.8943 117298.2917 644888.3642 149095.6667 199602.1701 96092.9479 297003.2901 119866.3786 163521.8761 107269.3973 610985.3358 135812.8911 238401.9968 79501.78602 627244.8074 119952.5866 91305.25018 145507.3364 823907.9491 121395.0642 233515.6877 114222.3428 683276.6247 132481.3011 187693.9831 105056.9543 231285.8442 150838.0279 178806.1867 89200.53414 415942.8843 128079.3617 243005.5537 58043.6397 PS(36:3) 548576.8381 775819.6273 999166.3463 373664.5993 332237.3353 883018.5929 964613.0194 411439.4532 226029.8572 996686.7479 1139629.35 382007.4233 179246.2547 969010.521 414535.4603 318138.8475 184513.6817 569640.4411 236327.9956 135290.0535 643064.2186 873790.7275 469224.5478 341216.4479 328045.8626 957847.0069 535586.4458 404283.7181 200868.3864 901941.6185 530464.9769 330926.4041 226096.2223 1314023.545 408478.1305 338917.78 598812.7709 1370894.834 425133.8981 333782.7763 238859.3864 811068.7141 193181.9135 134818.3958 490655.2821 843142.1605 1085018.312 319756.504 633447.2462 1130989.512 363172.1818 316398.7738 178596.2417 487142.4889 411327.2703 365550.1055 523702.6114 1230134.511 396065.0965 363031.4767 157552.8273 728983.9018 224691.6602 124405.3061 276050.6808 789420.6844 694400.2111 376568.1153 213345.9541 1082573.254 454649.9343 371912.7876 146641.7267 712081.4785 478293.2572 338198.8924 671228.8723 1139049.019 355498.5515 314512.2264 189741.5228 618997.2403 252161.8094 175195.2657 Tributyrin 124699.6317 91813.7176 112129.5763 23236.13238 15106.8572 47194.94839 40932.20013 25350.1398 0 58084.6574 86407.26922 11897.12342 0 63767.41825 0 24408.49531 69766.25063 36816.61014 0 21964.30354 165298.4887 212343.1591 0 21369.43454 0 89799.26315 0 14329.44703 0 64615.59857 0 25223.84239 16277.03795 67896.34328 0 14971.60991 186623.0797 112830.2537 0 27894.44411 117951.1224 74004.86839 21075.39343 21990.95066 244388.767 96288.05918 61680.13824 40393.79591 164144.9573 66245.97472 0 29979.02258 0 45800.41667 0 25666.97841 103933.1687 60830.06362 0 11706.61134 60479.93709 71203.39075 0 8762.505061 20038.02341 114019.047 0 19079.19553 13297.85137 95212.93569 0 26235.72817 0 48905.19315 0 14145.57045 107127.5627 51237.83641 0 23113.28493 152713.7762 97858.59677 0 48375.84596 PG(34:2) 162861.3296 128044.6362 198351.6259 95310.81687 66899.92951 126764.8831 139653.2777 83420.44146 52256.60353 144568.9233 193901.3215 97198.76941 48143.40272 154474.9729 70302.64458 74376.88497 0 0 0 0 164782.0272 167917.6482 77987.98317 91279.22538 58386.44548 158773.86 67601.55813 99650.54711 56406.57183 219141.7501 89942.72024 114666.773 50819.94455 270569.8943 61159.63133 110764.6804 180475.5971 301935.4546 68032.66787 98431.25953 0 0 0 15137.54909 165403.8427 148578.1806 158955.9984 119962.5908 193033.8947 153811.8433 63136.80119 95321.88817 54109.37979 82479.97717 56846.93931 90948.6968 120727.4897 197939.6293 90985.85364 94304.25354 0 31968.79589 0 0 57469.37126 147288.485 102274.8887 100050.4675 48470.59547 246953.189 83546.17921 92511.23239 41270.20651 136735.7516 106399.5581 121161.3039 165891.4528 172508.2015 52560.8093 100333.0822 16556.38487 0 0 36852.37333 9-Oxononanoic acid 246484.3261 252385.725 229745.9447 218159.5553 199150.1961 201965.1494 184773.1201 165455.8921 163338.5759 203522.3801 184997.0937 157300.2184 178970.4845 225830.7199 268950.0724 162198.2906 136992.2872 209964.5661 238403.5206 139753.0906 127477.9836 193732.8035 211090.921 160561.6198 217011.6195 191034.4351 175354.1287 149593.7233 203908.3317 233796.9284 264445.5226 162431.8096 233897.4862 206409.5985 289766.9829 171061.2749 154409.9461 197209.2768 251410.7198 162222.9118 106579.7246 194507.7992 307091.5011 130271.7386 177038.0896 211255.6661 254554.6756 204808.1262 118607.35 224823.0717 304690.9407 144369.8258 201370.661 265950.1745 266458.6691 161632.4 151418.1082 217359.1521 252908.9221 157391.7867 100938.9733 169436.0575 225661.6581 126821.1679 171884.809 176939.1638 239719.2903 204645.5097 292926.9159 194201.2469 263527.6907 76075.18179 205540.4056 288724.0285 281390.333 152694.7718 113491.9981 242743.8915 273884.4995 163228.7472 123057.649 156006.7631 314518.4776 129142.8303 N-Acetylornithine 50396.28078 16362.84868 25926.26174 11989.04537 52443.88438 15267.66692 23015.51641 12813.32826 60687.50435 28613.83538 24533.04778 19001.37612 63619.94581 15382.01671 28644.85149 11633.4731 68176.23423 64684.13147 82532.07176 218011.671 22234.58224 12952.27279 33817.48828 10862.19837 61316.7643 29841.78573 27460.05627 0 53970.76022 26279.75293 27570.78895 11897.68606 48392.94027 12901.93608 29892.34494 20903.26564 37560.16304 14498.24074 30678.16273 9807.814137 75279.62867 74684.89391 71998.55607 244255.2061 31680.34302 34987.61508 23802.38403 12201.48029 30246.53725 13245.62991 29268.76302 11260.50199 62363.89478 24823.66684 35788.45681 10318.98235 45788.99663 13505.82489 26720.46181 24294.15762 92808.08394 76397.10863 81400.55801 261164.9016 60416.13985 18488.64823 0 0 73013.628 22041.80481 30664.08321 8132.126885 49534.67966 27093.73929 44343.14161 21820.88237 35727.5816 22808.38203 33522.83763 11481.68837 61064.09491 54926.55753 72910.27485 193039.1221 FA methyl(8:0) 4198714.66 1234151.431 4199419.522 653774.4047 1991661.062 1156791.074 2080649.766 588668.6815 1440448.68 1456724.499 3504108.512 508918.0065 1629033.212 1463192.567 1720972.012 614872.2567 3181374.464 1446326.377 1637991.451 531722.0358 1933154.726 1401265.02 2098617.72 662234.6061 1534924.883 1304524.905 1434441.238 562258.4105 2018099.742 1359242.129 2396533.809 582306.9244 1715723.815 1448556.166 1724925.024 592835.8851 3035827.728 1457373.669 1439859.908 565223.4146 1933468.325 1460529.415 1579238.392 520410.1677 2115101.64 1477147.906 2981911.711 602497.3919 2765385.212 1256503.789 2224892.339 518862.6088 1818602.863 1299958.021 1685438.739 650727.5518 2535028.128 1263848.625 1482240.463 587542.97 2187461.125 1565600.373 1745521.461 531825.3364 1828971.795 1073737.908 3981377.355 700007.2882 2332995.147 1454098.581 1824901.663 686449.5057 1823154.388 1500516.807 1952430.316 594831.9709 2622994.204 1077031.189 1503655.77 584004.3717 3656566.141 1626999.81 1811240.777 465109.9573 FA (17:0) 4158732.758 2742758.96 4357317.74 1256345.482 1454529.471 2135747.698 2597543.692 1360431.358 1166820.967 2318087.326 4190672.649 1913419.138 962969.0159 2873045.127 2543942.274 1209998.641 3903054.597 2910467.783 2507652.994 1263823.576 4058858.804 3197345.244 2608535.222 1343348.936 1130707.469 2271252.121 2515917.374 1179650.861 1184390.896 2576365.736 2460566.758 1209914.699 1095866.532 2364011.07 2348610.968 1174043.161 4260453.397 2889541.958 2123793.507 1125132.838 3168413.141 2726928.778 2072080.196 1044130.947 5046618.725 2867682.947 3888868.196 1234681.346 4210039.125 2254242.583 2370785.104 1182902.136 1292051.741 2804656.169 2376093.888 1264702.387 3358750.565 2249557.029 2254163.571 1235020.393 3297252.104 2715739.068 2268245.136 988094.9889 1812507.155 2216139.256 6572019.582 1318210.571 954868.743 3053198.89 2577969.137 1393315.253 1019055.685 3469613.986 2928586.604 1275229.684 3369047.807 2034537.692 2368587.275 1201313.698 4372326.659 3269528.661 2539329.216 1579339.078 Docosanoic acid 296831.1131 260966.5542 397645.9687 128559.6602 100201.3209 200235.6205 298231.2559 169709.6772 64011.14513 209989.8572 361800.9369 278131.4991 63604.62862 246051.606 264245.2225 116200.7894 192782.5294 151588.1174 227805.5783 112646.3727 195846.1036 195221.7583 320566.1006 156563.738 79936.82053 193829.9104 282393.555 170071.1126 77610.87751 237852.6299 176050.1783 139725.3244 62554.10576 185843.1195 259310.0951 94257.33386 202296.4144 186482.6924 143224.4368 104140.9075 149751.2093 198527.5499 144604.0251 104196.3531 215505.1999 258062.9005 441514.2726 117970.1971 159945.1057 203073.8802 184574.5837 116984.3892 56454.69007 166241.7617 235995.6144 111222.4321 179036.491 216671.4545 264637.1812 103051.0274 183065.1011 150283.9461 293189.4446 114349.2561 129956.0388 242693.4512 574368.2799 117082.2038 80350.58905 317233.7116 171764.4951 108965.9698 42885.83985 246885.0602 165046.4532 104397.2199 156059.7083 179869.1202 210516.6905 96559.0348 182909.8572 163927.1499 164684.9482 110583.945 PI(36:4) 497468.4306 408075.587 660214.3524 322866.7438 265289.4648 444204.4037 479432.0066 321305.4349 223063.5014 643381.1275 629950.9211 334232.4173 190175.8591 603660.2454 295915.1122 318769.7679 563756.3773 693627.8257 295467.0006 412155.9438 541605.2775 564971.788 291207.3405 340784.3384 260761.831 562819.4581 347913.4432 315675.2739 230738.4968 538357.3804 319568.4442 314095.9625 209048.6716 700359.8524 251668.9356 290411.6444 592473.8044 736430.7798 287872.2312 327926.4755 577455.4245 726285.3175 222501.2749 361979.8641 556794.6878 552485.1514 568506.651 326990.4632 494663.4418 647299.8925 276094.8742 266125.6134 192053.5317 301089.078 257297.5417 347208.1163 459179.8669 717629.6292 267381.2796 308200.8268 390034.4262 678615.9614 232284.4685 308863.284 230762.0563 430632.3669 503674.4023 381452.579 202860.425 761999.6694 287720.1161 357183.9343 146988.7501 463110.4508 281694.1561 361538.1379 493479.5325 557175.0675 229476.2959 310401.6194 497592.2843 607735.6326 255778.5761 490442.6015 PI(38:5) 291206.6065 230109.4521 279171.0486 205833.6987 143656.6355 199709.8332 225949.4266 222203.1494 135866.5801 286461.6722 301793.2001 228891.2907 94950.67409 298580.3523 102655.9444 197897.012 223896.8561 222161.3646 117555.455 226759.4523 273082.7893 289045.1425 99198.87046 214714.3688 143171.9933 248240.0108 129650.4087 211284.5148 119630.5591 318675.1853 138125.7988 193783.0778 133195.2821 417933.8787 112800.3262 207236.2539 269163.5957 381137.9389 130953.4544 179647.7094 270569.8943 342667.3771 85047.90984 216174.3758 291589.6684 233712.9776 256720.9616 212320.3193 254150.8799 315397.5828 101235.7896 204435.0142 88797.48657 142201.8558 115444.9496 233199.857 251532.9168 310131.1099 131842.8371 221250.563 242382.0599 295259.9601 103350.6825 187704.9293 138345.3 200858.6798 234994.0667 238191.2669 114886.2969 349677.6991 146474.1665 218189.1216 90701.94513 164873.8325 116597.3037 240753.9171 305651.9422 279411.2426 111091.4018 212508.1413 260642.081 337515.1198 94425.36313 300315.5817 PA(34:2) 447997.877 470132.532 534079.9607 423599.9601 203583.8597 436688.0034 509926.3295 514554.6098 136080.9348 593462.3588 474792.4762 447597.803 99875.11076 544083.7371 201662.7698 364040.0173 197801.0902 211960.7915 200290.1314 298445.4893 419898.7148 488941.3809 218264.423 460530.1081 156378.3479 611489.0854 244280.1061 509684.9595 112959.6621 480362.3884 185279.4402 421052.4783 141729.157 730638.7059 181726.506 364881.1802 261658.5384 705863.608 160881.6077 344977.249 254501.0764 466304.5042 148511.9362 247950.0072 382803.7419 578155.762 496985.7765 391199.5016 331344.9323 649313.6942 159346.6268 346530.8888 80853.28889 197318.1353 160049.9846 398095.5973 420163.6882 608787.5364 202364.0576 321029.0202 147036.5055 316509.5654 122225.0282 215465.553 201813.0723 433919.4773 288484.6345 436326.3123 126719.3767 707099.0716 195390.4676 389481.7895 67375.70825 339058.926 156149.7236 390345.4257 333850.0072 554850.3428 136045.6033 356628.3597 270569.8943 288862.3722 97687.42956 289985.9106 PS(36:4) 519778.2635 501483.0273 805057.6706 355550.8574 277507.1863 575171.7987 593012.727 415939.9675 218166.5533 788540.6917 693095.9346 386396.8614 169440.1238 802028.1954 321348.9061 328763.8348 313568.8174 425160.3024 267413.321 312756.6925 468279.4664 621809.8358 350699.3201 489224.0206 235188.1624 600542.9571 311237.8752 430353.3317 209226.1654 624979.7935 384028.7871 353611.5441 208670.0057 987367.4124 258687.0106 330272.2716 561997.5719 912580.186 346453.2103 332758.1704 395504.698 563715.8389 178239.3165 219806.4386 528985.7122 601556.5866 692561.3287 385182.1983 490442.4988 867343.9509 273181.6198 317133.225 176102.5794 395785.6109 278558.419 338750.7142 517808.3551 852366.7191 276112.9631 328156.7089 277730.0055 527746.9791 200052.7038 179740.2502 244968.6275 512570.5419 467368.0558 441778.2256 195498.62 866594.3059 345558.1996 381866.9957 158103.94 501698.5026 353081.1217 332908.4596 559176.6743 685252.2757 262360.9498 412378.8112 357162.8576 467584.4115 187290.1581 302711.999 FA(24:0) 201443.1558 140657.4655 223404.076 37163.96999 80068.55133 91001.25109 164296.7919 70978.20281 19920.55872 115343.2062 164961.7516 404028.166 20603.48692 120752.6422 109243.3933 64514.46211 86986.33755 76269.8142 106347.4077 71879.86438 84114.47869 123573.3422 157780.6507 89429.73412 30796.21877 86386.11422 139189.7331 77164.03301 27580.27487 125241.2324 44290.74849 72062.5207 49661.9687 123817.4778 122701.4404 63598.34948 112907.2098 143172.2123 56412.88496 57661.65589 73312.09168 108080.6665 54826.35844 58994.38448 107290.913 157694.9451 189010.1351 81036.7911 68649.98008 107096.0064 47888.71206 61434.83555 0 39096.24231 132419.8876 67337.85854 78393.1638 99720.95056 139435.9294 66455.37509 58937.54353 84924.10579 160865.5959 52040.65248 34777.04745 135296.0614 292875.6777 108191.3202 24051.22493 150097.1322 48349.8944 78520.94036 0 76047.65019 97377.90135 67477.96199 70159.68514 100311.8023 67162.32112 59089.70099 66894.56404 106452.7601 66224.82603 68961.94848 FA methyl(12:0) dodecanoic acid 265803.8578 156770.3907 328161.0954 91935.03565 89335.51976 89687.88519 148563.2601 75780.65995 79207.38909 125312.5987 270569.8943 108943.0241 80962.02321 247296.435 169670.7428 88409.43167 300819.4953 128349.8253 71483.85702 85609.14346 224273.7312 269836.8872 121328.8282 104590.9333 72743.48624 195999.3064 53830.33295 99681.00068 82566.00668 104294.1966 157945.3509 102354.8824 67473.16961 153917.3204 123972.7568 87298.26335 301968.4398 180119.7522 71709.24485 92617.83678 209060.7185 126864.5228 99224.57146 71657.33173 256183.5612 182667.5648 264993.6042 82570.75566 290520.9916 102894.2573 104457.5392 83959.76143 57508.13919 113502.5792 103703.4764 86567.33305 174464.1738 84355.39116 113404.3142 99145.93338 144803.9484 118589.01 71134.34539 62479.44112 86241.99209 131160.1507 341635.5702 120076.839 85617.45684 182406.0285 192328.2338 79484.65042 72573.21865 132876.0517 135111.4399 127470.2217 179210.7464 109181.1733 136060.4542 69980.66835 324990.5 201957.4543 127231.2848 106955.7628 D-Ribose 1,5-bisphosphate 328290.2956 193715.7566 238981.3273 53163.91697 744030.1485 488798.8082 238287.3004 300918.466 1259286.622 470530.3475 299208.0253 253218.0259 1437923.042 430758.2022 691944.3949 221259.52 1972516.853 2343220.847 1736903.412 1973670.962 252854.2127 154201.58 418789.5665 182745.7437 953868.5414 339366.594 438428.3958 262684.7364 1172902.212 474718.5321 371290.718 322111.2512 1104648.565 320871.9706 634055.6372 220766.6407 271696.8044 224942.0122 691969.1033 177942.0772 1804197.402 2263402.713 1527840.368 2624974.119 523105.0628 151067.8411 231614.3641 281810.128 597860.8257 393507.4025 450197.8966 245330.7688 1280339.733 516016.0024 617340.0549 249134.2697 509851.5089 328028.3382 911636.4524 148432.7492 2654647.425 2111565.524 1308065.484 2326386.667 636557.3722 185055.205 380572.3219 249228.1802 1217441.29 376194.9084 456293.7564 237068.2716 1548146.935 483427.2573 656785.5756 192114.5553 468733.4331 417273.1051 864172.0758 183944.0015 1560230.955 1830612.386 1485122.103 1465577.799 Hydroxymethylphosphonate 60096.78866 50130.42402 0 45438.65274 120828.7496 52194.0493 31999.05164 45419.4912 85875.63632 78902.86846 37179.27007 42560.6279 99453.84615 75609.90169 72823.55389 69090.23613 60225.4559 58261.92621 39869.45385 83646.14041 47134.29239 51540.96615 0 49025.59089 112656.7556 53001.13305 44837.63781 42517.18469 104747.3973 63779.73419 64003.17313 55919.42428 140570.0967 79838.28807 99142.29001 52897.46668 94389.25111 75978.57414 109179.8315 67378.72188 79585.8745 52270.38348 57774.75801 95576.97558 49011.69625 50180.40127 22414.82863 43377.02985 91449.37961 59007.15976 70915.99409 47444.6686 125720.7751 62206.4981 49450.67355 60627.19755 63600.85751 78304.73888 58524.09851 38790.62799 83481.37655 61251.28742 65364.62836 63180.41631 141774.737 45721.92044 0 45182.22697 99646.43109 66749.81386 51348.77572 67047.16502 117405.1568 88706.9889 60577.44826 56262.57301 102756.1022 68933.0109 63644.41926 46292.21777 67586.89816 65985.17171 54331.63527 98994.03435 PS(36:2) 1650647.642 4589293.177 7413326.041 1401539.432 1049981.382 4755939.493 6375030.227 1660611.646 782945.3134 6433716.802 6668753.386 1551338.683 603160.7905 6152903.102 4353778.94 1430306.195 921855.4258 4102634.329 3723351.312 1049995.045 1892779.868 6069045.859 5030796.338 1424460.099 986612.1912 6527012.062 5043123.733 1562758.582 661021.8916 5811540.937 2672668.695 1494747.668 831561.394 7941019.081 3699206.094 1416255.957 1885513.583 8160709.999 3884667.736 1411509.319 1140334.734 6454576.181 3350911.087 894861.2758 1684412.254 5367007.673 7770051.776 1451833.297 1688971.384 6535377.954 3065697.358 1226179.033 553704.0883 2696498.757 3374804.033 1389469.468 1703260.399 7284464.222 3768345.678 1279556.902 840249.9095 5717426.306 3044021.264 799998.2602 1032763.392 4784809.117 4372647.989 1584550.761 804124.391 7272399.512 3494304.443 1537138.228 519628.315 3478658.047 2436060.809 1482290.811 1925838.283 5930196.005 3380968.416 1364059.121 886632.274 5214116.635 2858182.564 1181288.932 PG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 222196.6449 478427.7207 713691.4885 167706.3944 125147.4639 397912.8526 574501.6758 122736.9783 151108.9234 417521.5245 496185.7328 206832.7085 139285.7015 350253.2514 216106.7486 191459.7464 201451.7404 236576.8231 243657.838 207945.9079 206655.5041 369989.1458 519929.8216 147069.0791 185143.3373 450204.5337 307588.1892 155080.4168 94018.47563 341674.5219 41985.41966 155441.104 83199.35132 565243.795 311341.1165 198683.105 193570.9289 663835.7857 146395.0233 244643.0435 275460.21 645627.7833 332062.097 155364.3099 241328.0759 431666.4014 608328.73 161910.6916 220887.1794 301174.1287 193057.6159 243666.8848 90478.02932 86816.92011 207195.4107 191245.975 256965.7978 528407.9087 471823.4212 171283.9849 334940.4359 597310.2124 280633.8177 154716.5758 206367.77 316771.9983 675474.2488 155615.0041 108044.444 550460.4976 145019.074 157973.601 98050.49301 84076.0355 102177.0493 143758.5186 296131.8601 277431.3613 317953.6002 253313.0203 269321.4806 416128.6728 272935.9439 285764.1716 [FA] Methyl jasmonate 84175.95099 135494.474 333147.7568 40048.45656 36636.6483 99630.53202 257119.5297 39233.78773 34399.29073 125795.4441 400103.9427 31681.13221 16882.96361 103370.8595 97741.01189 35802.86829 52148.72185 80977.95608 122245.085 36942.45539 65125.80067 237507.8355 160229.7976 42101.56348 18249.92204 138441.9687 136869.0516 33426.27399 26896.05446 149478.6945 157773.9954 31064.92815 22267.9125 145253.616 96274.06407 35108.23316 54194.97345 100685.8276 85486.26487 37488.75488 47555.93945 114215.1185 79120.29395 26685.10027 74162.25415 164525.8521 277161.5764 35848.19364 78700.00261 114308.8022 129494.3862 30663.98921 18157.66633 96135.3827 97621.71875 47514.05759 53907.82321 72642.67131 87778.34862 31338.08462 41128.57365 106616.604 94386.8649 24849.07632 31047.1052 147204.3201 513408.9739 45175.67714 33261.63891 170296.8779 140560.3498 37468.53239 20467.5258 95491.08983 136200.9194 34734.87612 54768.60723 67343.10924 115889.8375 32208.16953 70612.48775 121144.4303 110978.74 57285.5576 FA methyl(16:1) 383787.8508 343239.9515 460684.6406 163505.5398 177656.3172 232134.783 354838.306 149666.3467 126631.8119 311205.1769 544861.6781 168738.1108 114602.2114 372561.1862 203538.3864 142718.4698 434558.5703 297228.8163 247661.769 154352.6592 486789.2435 593892.5688 259133.8636 145338.6931 141287.5675 253445.0433 190874.8966 181160.1188 141673.8824 315440.7782 244287.4009 163609.3182 145465.4958 273073.5106 227799.5704 135659.5523 529014.99 391231.1552 238278.394 129448.1543 417318.3339 284608.9773 187159.6525 130417.6338 605939.1078 481569.2639 404085.1105 141672.8416 481911.4951 270569.8943 207843.4245 149702.0555 149877.1716 313796.8341 194202.0829 134862.442 402009.7259 239748.0696 238239.1767 142324.2961 264411.0987 317385.2986 210650.988 124655.0904 149673.6536 282987.359 812427.5397 142324.2641 139584.1631 335946.5758 288281.6404 172780.5724 126285.579 369976.6228 269242.4361 155354.6483 449996.4338 246388.6678 268761.9278 117059.4239 575096.5492 336986.9311 232038.5397 208684.8325 Hippurate 315061.495 208799.8533 144757.3534 59653.19618 268047.5831 156370.0525 147132.4711 45585.65007 308644.8086 123321.2349 124185.1134 51407.24494 408601.1789 116551.8772 179961.0025 51949.34488 575481.9644 293205.4411 361857.4977 404556.4358 275912.9848 184596.7701 163796.8388 71860.02975 294669.7253 158282.8047 156523.7318 125296.626 374287.5069 132921.0331 197159.9791 140149.0668 353622.274 129581.7413 199930.6539 59021.99993 250642.3695 126593.8911 194922.8014 163668.5157 590186.8835 270569.8943 373624.4695 444164.8258 241851.4988 203478.3093 170500.6742 179904.5323 252728.3874 116357.0704 198719.8249 108595.4953 392885.2976 141338.2476 194846.7595 56529.15156 345885.2128 134136.4358 205944.7329 157511.8692 605050.8773 270569.8943 434043.9015 408105.735 283202.2573 202165.8821 220940.634 163567.4993 312723.9351 97912.10315 175042.2292 141491.5965 382533.0075 120550.3755 200169.674 128341.2986 322524.7443 141755.4684 210573.2849 181162.6666 522594.532 277316.8814 369213.7156 340949.7057 PG(36:3) 204553.3675 178491.7563 261430.5499 112461.301 89967.41131 157166.9449 210178.9788 125132.4181 83960.83263 172732.7037 257203.4268 117146.5899 51374.07545 162343.3581 56783.76143 106829.1913 0 0 0 0 225241.4615 236441.9786 95921.80467 130652.9654 73832.30796 201557.7019 101533.3956 115984.9703 81738.0128 246221.3941 138560.0903 122726.3254 74389.8614 317788.9866 51735.02422 124160.8725 203499.0228 296849.4971 64185.87948 99451.26587 0 0 0 0 198390.1055 224164.8064 219389.5131 113051.8818 233867.2866 216923.9271 67358.30207 96193.61809 61141.98022 95437.28525 77345.6396 129364.8344 192598.622 262596.4871 77771.37529 117752.0893 0 0 0 0 79232.21105 200157.8048 132506.0128 123019.8893 61883.18696 257858.481 74886.21727 120003.8403 31086.10006 163825.1084 104093.6194 119100.3965 211056.0389 237585.3274 65396.76637 111621.6933 0 0 0 0 N,N'-Dimethylurea 47780.59611 82809.45576 78002.88111 117695.2556 113610.2934 115376.5608 80439.33119 102425.0401 101854.6421 107024.8053 63489.16273 105029.8068 119201.8082 81900.50383 100757.6816 118941.582 78453.11467 89472.98833 114438.1959 102995.5759 43492.30577 80249.53188 72137.16943 106313.7312 109557.4975 81657.80154 98035.45148 99123.40657 112266.5766 93944.63681 90389.56352 110813.6926 103710.5811 79941.34356 104705.7339 111696.315 67752.17782 51593.59545 84601.87115 97128.81131 63848.14979 94007.718 111693.8046 119286.5563 63356.14992 101301.667 81076.87246 101980.2813 85188.76136 85120.85 94815.51811 93114.39319 101845.0919 78373.73306 108474.772 120751.8608 64589.53427 79641.78051 102999.9858 109759.5031 91043.64964 86916.81496 108068.706 136401.3611 81487.17664 77951.57992 81850.74224 115021.0825 94781.7245 61847.18614 82702.05611 93584.83951 112928.0205 86602.83696 86683.91363 121328.1255 82178.8827 97707.35428 80887.42073 130185.4652 76787.18872 75631.30264 103535.4178 91352.97023 4-Amino-4-deoxychorismate 59487.34592 72442.99264 51699.90804 142878.5274 152200.3452 68667.80031 64817.68679 82223.65801 194198.9653 119682.0589 69657.19138 117912.7527 196783.8445 86904.984 122537.7681 137991.8016 72948.81196 93247.26585 89777.2034 82526.90034 34393.2848 55896.06978 81702.45672 121012.8334 172270.0055 66509.79521 88827.09306 103776.7955 175386.1905 85634.08739 118793.8515 146060.7678 161252.7639 93735.15579 131680.5762 120991.1184 48540.5771 79781.47771 132877.0432 116258.6351 83917.08628 101174.9455 111690.9038 118938.4224 105654.162 68960.29645 51034.29283 112044.4405 100846.017 85205.68815 158127.3731 110639.7994 183492.0186 93172.65909 131638.3208 113538.8373 77721.19977 108623.0109 121246.4492 106607.6798 131284.4528 81946.05016 126250.0334 140655.7854 113404.9688 67935.67857 0 120592.3607 195375.4723 68208.1465 143944.81 114996.1487 189443.2295 93089.72836 134774.6535 102763.5954 73247.33868 93342.98468 127532.5081 108343.9132 74261.68373 58791.30078 94313.44 77001.49446 Psychosine 88676.041 58272.38575 86058.08867 40560.57484 59026.78718 66389.5272 68971.61891 25011.53676 69400.93699 56012.46126 83186.0733 28664.57819 83250.61253 107662.3774 75890.297 23842.28564 1133166.948 285166.1624 233904.4066 298684.2446 148528.0847 69409.664 58538.91254 23182.01177 53790.29582 56281.91171 66780.44578 29637.36868 50678.58192 73459.7204 70015.06923 30765.97964 55438.16572 81197.92167 68613.10576 28012.9598 200713.8462 77435.94682 74029.5331 23714.06456 698571.7524 311041.3913 230854.4586 210845.0076 174696.1253 53195.45131 56733.35461 42313.2627 133208.5155 80961.59639 67075.78824 28187.37084 96130.01308 118355.9321 71317.3848 33773.16466 120383.9468 67725.74218 62955.76112 34882.26664 425429.9854 307516.5091 236091.0312 228364.4695 56764.28783 54150.32995 215186.0588 34155.13835 53707.1437 84523.72121 85862.72451 27798.23601 90099.71334 126945.5505 107262.502 30536.76755 114251.4388 72032.2961 109855.6321 26373.82883 997817.9255 364543.843 211650.7893 408419.4517 PS(38:5) 2209114.623 2011437.149 2871402.914 1936078.214 1236160.737 2001777.762 2297181.128 2331319.818 1031865.52 2719532.943 2881442.608 2310121.978 780391.3204 2994191.139 1154731.656 1887359.273 1683444.294 1692409.116 973306.3089 1917369.632 2756213.918 2935222.634 1250441.875 2137504.7 1202068.526 2849617.711 1471191.024 2171584.085 819403.9583 2723107.142 1347025.402 1928172.085 925697.343 3699141.417 1011659.439 2192150.789 2447684.805 3986569.919 1335066.023 1905983.734 2147369.859 2313804.744 880785.2596 1654530.383 2383902.409 2307123.441 3019302.667 2046860.201 2238301.831 2846347.573 1018889.072 1854584.641 680367.4923 1321140.941 994205.0694 2147713.506 2261541.294 3191403.095 1128118.52 1850332.22 1430023.886 2227478.318 811864.1902 1568993.041 1057802.394 2171118.279 1633295.296 2219410.102 906406.6217 3322445.876 1178409.847 2035045.032 615372.166 1753763.234 1215922.836 2173569.641 2439739.605 2813932.413 927897.4387 1924465.331 1826831.657 2005935.842 919387.2804 2508781.64 N-Acetyl-D-glucosamine 1,6-bisphosphate 140615.7456 142468.625 111684.6216 392650.4492 436745.6556 209370.4397 105177.2442 473252.8666 451145.4737 166982.6673 108360.7836 396751.528 565556.9916 184840.6581 198619.0718 361963.2791 329098.7116 229853.3845 276636.213 743540.7689 125068.3634 111502.397 204654.7805 307673.5008 508316.3891 162824.0437 202903.9632 445627.6481 511385.3095 183176.8794 174851.0396 477646.8424 460220.633 150919.878 229279.2261 421879.0506 197812.8408 113731.4569 211713.6868 391458.2017 314005.5037 212730.4549 294598.7031 917323.5102 215977.3898 117202.998 135799.3139 389078.5129 308053.6835 156416.1318 198842.9299 404075.1836 511081.8761 186061.3286 210877.9624 399362.9633 240170.8309 121032.6835 279329.842 344747.7384 456595.9214 219784.8514 292960.179 838122.8656 281911.6745 115976.1306 173058.5505 361236.7651 483624.0643 128934.3343 201632.84 391818.2395 556539.6383 200740.7957 166954.1818 362335.1739 272673.7581 168393.2146 238995.5034 406562.3216 275322.2063 184992.8627 296336.6553 553962.1141 3-O-(6'-O-(13Z,16Z,19Z-docosatrienoyl)-beta-D-glucopyranosyl)-campest-5-en-3beta-ol 266034.6587 284110.826 261677.8331 176779.7339 124890.361 140749.8951 201364.6083 177809.5061 93074.97648 197965.2972 259125.7137 195219.6337 76810.6535 97015.43387 287039.1802 188424.1548 146601.0216 83982.50097 179384.4993 145204.3118 262441.8163 272689.3074 126803.6443 184929.697 105721.8076 224895.7134 132173.8561 185371.3086 79724.29 108362.3895 100686.8861 166360.8306 107988.3835 188270.1264 202748.3268 171276.2752 277529.3307 275784.6526 81270.8342 149704.9206 186922.5191 175057.1135 139556.3214 125491.865 215327.9863 283134.219 276073.9985 140879.2334 192398.6575 135994.4928 135335.9646 152467.1259 55506.05809 74328.32096 274486.8629 206151.6288 208725.1605 214221.8535 210899.8737 192157.8664 151201.5269 184068.6002 232657.3913 133035.5041 188619.5443 264637.6458 73341.19748 150756.6439 116887.3523 204757.8837 83620.14882 185004.0687 51057.98172 35243.31925 79116.39274 183181.4414 188285.0062 102670.2005 149575.6908 172032.5614 206495.1852 205458.8907 186921.4006 156306.1595 2-trans,6-trans-Farnesal 169065.3229 138344.4923 281927.631 153313.2735 81343.68637 109486.4157 255671.4391 128934.1383 71409.15453 99723.46943 604383.8254 127695.4649 67668.19946 101567.8448 133783.1991 191993.9992 200648.8977 97567.46734 120280.0867 87048.91674 293046.423 235645.0223 182615.4339 141381.633 70006.52411 117002.186 130226.1427 110776.4841 74562.38591 104919.3004 202585.4291 107464.421 71547.93202 115857.6744 160310.7848 116192.8405 269289.6012 147357.8367 131255.6245 122670.8909 161155.4716 90655.85921 95615.04066 84590.0018 387537.4662 139827.0867 221416.6853 158851.6327 205926.366 115339.2519 181199.4462 127525.7862 65864.14088 95557.62499 152804.3533 147520.7719 117503.5336 102171.0293 121466.7661 118589.6775 123044.3415 115704.7701 174975.8317 67555.73807 81320.84031 161371.2821 914011.3339 138584.608 70952.30019 161735.9377 184641.8022 119021.2183 59714.90995 115589.0658 180720.8392 109944.5082 163303.8258 106520.4908 116410.6015 138024.3491 203533.1217 93408.44236 110148.919 112578.1965 PS(38:4) 17839417.48 20382370.59 29851875.4 13007100.17 9063107.09 17279154.35 22058885.44 15466826.4 7548481.921 23254783.32 26297873.14 16033959.19 5631614.823 24494176.83 16113743.42 12820779.77 13543575.63 17749178.76 18042005.37 13102118.69 21911355.91 25813293.83 17587284.98 14439360.96 8422186.624 26376212.73 19119340.67 13154088.08 6088397.861 22116670.38 9982290.164 13363938.17 7157835.231 31795980.55 13419110.45 12932352.24 17134676.16 34242995.22 15358201.29 12148668.77 16021611.34 26966799.87 15052288 11617513.42 19006932.44 21217197.3 30348493.91 14290208.39 18197310.19 25331240.25 11485772.54 11858027.75 5043669.774 10794753.94 12575168.93 13400518.27 17232218.13 27853955.96 15378332.44 11460913.31 12522011.12 25228397.86 13367496.13 11926269.38 11442659.93 19299616.28 15859298.38 13989983.88 6513312.316 31917277.69 12008500.99 13112670.2 3723512.775 12425819.96 9313762.034 13552454.36 17989890.37 24109916.28 12044381.93 12138307.35 14445843.39 23766046.7 13354451.67 16920067.94 FA hydroxy(10:0) 28947.37211 63378.1341 68106.78896 44773.62765 17553.52075 57531.78392 41393.85964 39543.44145 17297.93795 47923.69553 51130.34201 34393.8824 34958.25216 66174.40852 44854.38721 32511.1828 21293.03254 25455.28212 48902.14246 53803.76199 28580.47358 47354.24024 38511.57185 50395.97893 34231.69623 47650.53625 51064.27628 35788.28172 17439.91702 43701.45719 50271.76591 44668.40506 16126.05848 64106.08244 48175.27024 35512.93206 23624.23144 58758.84609 44043.02775 30910.99544 79788.53084 89768.93445 47953.9698 25229.49418 25016.70859 59842.65364 54880.81149 42515.22813 37224.93606 41389.37979 46215.64435 25438.1619 37330.68176 58063.42233 54440.99565 35074.07307 50833.53063 31346.02362 47842.95879 29033.47851 38371.05411 75825.15032 55606.95633 32283.48673 25948.56728 53742.11815 75218.65384 59615.89183 34070.59211 50709.64502 53581.78146 35726.60265 15243.22961 52331.23104 46891.7234 42178.61572 35561.80206 31691.09922 51019.48434 57765.25193 37529.0539 44505.2053 42903.75338 35316.04503 (R)-2-Hydroxyglutarate 7346109.235 6877677.033 5327001.305 10140151.54 11427439.72 7630463.314 6396264.807 10150104.82 11499809.34 6827175.278 5039422.417 8395139.011 13012409.15 6779711.274 9157537.247 9732562.746 1990418.523 4197486.67 5143306.905 3691698.745 6533324.787 134790.4539 8964392.828 10491909.76 11041399.91 6233413.978 8638638.974 8676121.543 10695330.18 5768072.95 9035693.683 8992193.078 11430568.63 5899233.002 9410804.729 9329768.404 4777220.49 4865965.775 8716816.947 8950053.248 1557158.559 3713377.408 5497458.088 4406758.226 7732158.114 6312209.021 5777197.481 10375082.81 6818273.691 6792143.226 10345963.05 9503860.477 11099954.95 6877543.819 9346409.337 9667516.749 7176882.039 5702690.713 9296506.049 8347213.307 2393774.942 3606320.875 5728692.55 4134809.742 10786005.28 6242119.964 5407037.473 11028600.43 11321030.41 5474624.71 9048659.198 9165150.127 11439534.25 6505264.764 8753939.915 9019136.581 5814417.544 7273579.477 9426038.036 8876667.353 1573529.465 2979851.041 5341388.819 2795046.653 LysoPA(16:0) 238353.3503 182073.2967 403576.2572 268447.5788 185152.7582 286805.4618 395599.8519 313690.9229 181803.134 264629.1103 334061.738 259321.5661 212596.85 345798.701 380785.4504 226107.1434 760731.8757 525386.2273 367217.9952 309873.8541 308959.1631 322946.0603 316967.4838 233247.4249 180577.1981 235617.6173 405173.0896 306908.0915 188177.2982 322014.3816 461916.2246 295302.5474 179251.6712 271960.8627 395232.3956 240850.1075 535121.4063 310066.166 318177.0754 228245.334 834244.5132 654216.3034 490392.2539 289428.8961 356954.0698 201228.4863 386083.3578 312716.7106 354733.0679 301577.6062 356778.4808 282253.4031 244818.4772 411920.7292 376287.1038 201646.7963 243407.0665 335284.3786 360438.2462 211848.7727 352641.2968 511725.8441 429799.2875 235598.0955 159324.4439 195221.5957 1254005.595 287683.7548 241563.6368 297193.4589 372318.4464 222883.4981 266105.1634 464960.0014 422017.898 209166.8215 362428.6217 308930.8773 385119.4397 230439.3937 917640.9482 699710.7708 487989.2905 513130.0549 PA(18:1(9Z)/0:0) 94606.22763 78029.7414 143545.6139 106427.0325 77055.77623 113875.9694 137761.7305 130512.0719 74418.53887 97984.71011 130209.9182 111033.0875 80763.90109 154237.0021 123756.6039 76250.39598 396661.9527 187155.7823 169095.1681 120522.2303 126285.4947 144972.0043 109926.0805 97185.3801 73298.74233 118163.4688 155308.2186 112245.7022 81033.37583 128151.7753 173765.8017 132428.8404 72117.00822 120626.5033 155698.5783 79277.15951 223934.7151 137147.4944 136814.6447 77839.11994 324911.3228 249998.582 160557.8432 91880.89315 145917.2754 85611.74244 144788.2124 128024.6755 131840.1264 115169.549 149888.126 110837.029 95498.25456 190671.7786 136111.1219 85090.73353 96577.79792 122820.3151 126300.1075 79346.35361 132413.3201 218867.3506 160452.6765 92501.94411 47498.355 80402.63841 501625.4512 96352.20055 87279.33434 134907.9429 155200.9958 87164.3682 97100.90181 206265.685 201132.5995 91156.92221 135143.598 129313.5696 121844.9061 103235.3483 347739.7807 234108.1173 190483.4205 215954.5241 ADP 11412795.03 18388443.03 15289984.96 22917271.73 32795822.95 22493573.71 12190436.69 23200239.6 33651081.43 19009862.56 14304887.04 22160141.71 34278958.44 17233402.98 21749150.96 21991848.51 30174289.83 33148009.64 35906256.99 25310911.1 208494.4019 16118708.37 21514542.79 23061425.42 33836548.1 18691057.23 21850675.05 21398551.74 34431457.7 18208837.64 20480905.68 22366035.41 34473143.49 16151681.61 23701285.98 21800250.92 15015872.12 12633338.04 20588291.46 18783710.95 28254861.38 32684688.67 33198657.43 28550229.05 14059922.63 16835384.81 14545262.62 22707728.41 24433947.01 17170840.7 22357801.5 20489974.42 34256757.51 19180761.14 21836610.91 24695240.8 21148631.34 15030945.75 23458473.21 18300490.61 33591981.93 30672824.15 33592344.18 26637715.44 19914629.29 17103851.55 16780160.87 21036034.15 33963091.22 17153403.25 21733695.46 21017471.39 36417599.87 19269025.16 21878554.21 20091750.52 18487306.7 17208564.78 22692313.79 20578224.18 28891686.78 29238491.66 32946837.99 23646488.39 ATP 55512721.46 48740451.4 45009479.54 63796729.4 133784660.2 61243866.6 45061078.48 76754126 134792847.2 54445722.86 43492636.35 68446854.1 141776995.2 55811731.49 73436404.46 64197481.19 84746932.83 64188810.85 69679469.01 66329475.86 46574370.46 43917640.19 59250367.83 64301902.4 130894015 50665099.28 65424986.35 68549473.11 135098907.6 57037728.88 58688981.83 70439090.78 138799761.9 59532899.74 71975228.76 69095710.56 62182292.52 49037298.97 70730743.23 80741921.69 68821896.99 56406200.3 71331120.37 75931460.24 71948616.42 45432476.82 40648112.31 77519486.62 99102722.14 48962397.25 71632642.45 61208349.13 157887290.2 67623334.63 65934669.51 71405618.76 82244677.43 50612676.08 76631012.48 65068411.06 101225838.4 54597626.98 69701944.13 69415172.68 89780870.19 41835096.37 59958379.7 71685902.8 139902164.4 42584817.02 65962188.55 61285458.61 150078293.4 64470196.33 65723528.31 68141361.45 75109864.87 58437417.89 79684932.66 71312555.68 67413935.81 47297560.04 78633120.01 56307767.07 2-Deoxy-D-ribose 5-phosphate 0 107978.7756 86373.9462 0 0 102039.0218 106177.7512 18161.98132 0 110802.3161 84819.08474 21576.16165 0 100137.5325 129817.3498 0 0 272394.4531 302317.3246 85579.0228 0 80353.86913 125947.7582 21044.05792 0 95194.74935 133665.4306 14543.08517 0 94363.84541 120324.81 17024.85207 0 78215.98484 142112.4097 0 0 70001.33518 100634.4843 0 22065.30856 249964.5837 302509.5951 109831.4641 17172.30104 132122.0514 96058.35781 21365.57824 0 74233.66307 138031.3674 0 0 119247.2799 119859.7739 14987.59915 0 86982.29045 124500.5657 0 22147.83268 233400.7577 320381.9373 95466.51695 30474.52308 87836.11458 0 19774.64796 0 83423.53788 132581.9509 0 0 90018.5024 152165.6466 19397.45194 0 93613.94823 139803.0495 21423.43829 0 222361.6119 299305.742 85858.03296 Ala-Met-Asp-Tyr 1564421.621 1852037.595 1467920.632 2235164.868 1172312.24 2240099.987 1651289.887 1148415.485 1591593.525 2159130.039 1325896.499 1483691.353 1987809.124 1841517.922 1689579.05 1652861.947 1455139.069 1392709.269 1864067.999 1269750.982 1606762.022 2191907.521 1041479.53 2104354.939 1590094.595 2008571.133 1801615.471 1408320.903 1866143.023 1651507.381 1964237.179 1482121.647 1577085.76 1801999.778 1606914.078 1439233.745 1633872.324 1639009.071 1839459.24 1464581.128 1265956.302 1437369.647 1436090.401 1204165.327 1308362.916 2228823.479 1624200.78 2319108.002 1400237.312 1700050.724 1255565.252 1239420.679 1124520.169 2027741.893 1500878.593 1466044.576 1334092.218 1681768.149 1533731.378 450827.2428 1308374.048 1427865.782 1682596.251 1225547.726 1926724.568 1980812.794 1736014.692 2400331.229 1638361.227 1591154.593 1852193.941 1485282.5 2002648.289 2005870.628 1863674.777 1480434.93 1297383.432 1844231.356 1673848.996 1494294.624 1189298.043 1257314.85 1693263.422 1003252.805 PA(36:4) 202716.5169 251034.4583 280310.1856 213350.9606 104071.1757 179868.8078 238436.4156 237649.721 52081.55104 240399.7399 284981.8648 207003.1874 27069.27429 267093.9628 97900.04432 194849.7519 99692.05224 137503.2779 93044.4562 139304.7293 257574.8519 261219.5834 153269.2933 207487.9361 79993.50928 245922.6191 117051.3647 259857.1574 63452.56037 237913.8977 112212.4311 216973.6288 59764.31843 279806.4786 85193.29762 190894.6247 150807.7777 364878.0744 85368.52292 162919.8248 118572.0462 192732.6338 84247.767 137530.8099 223543.6298 244280.3706 256545.2636 204283.5911 196732.5327 274929.3062 78505.26213 170530.06 44910.78179 94982.97581 82905.44545 202169.7455 177715.9526 285512.098 94592.30206 170066.364 89997.28025 158594.4843 78344.16058 142724.7499 88806.2327 246338.5831 104525.2224 204159.3705 51796.33152 348803.6275 84838.75794 253002.578 19101.4948 133599.8641 79890.30404 206623.3225 185119.6249 277506.2287 45704.59398 170491.9209 121976.0483 159112.2901 63416.95235 168071.8153 (E)-3,7-Dimethylocta-1,6-diene-3,8-diol 81235.20854 82441.80806 51156.29343 39322.90829 17622.02079 55969.15552 66408.8211 28240.06118 37345.54615 51131.84775 75058.71987 28606.89411 37427.07838 63095.59848 34347.47186 32799.93914 112697.6348 75807.14011 43219.85855 46779.60031 176959.6455 117795.7288 42029.74253 51988.46385 33730.01585 70052.64597 24598.82471 30783.85175 40885.08018 63058.71438 55802.8105 35727.31994 36842.25428 65435.74874 39197.93505 33633.84757 119977.6028 81131.52936 25261.97112 33144.44496 106194.9691 74454.82616 44388.74327 54101.34932 203887.7549 82327.87847 55725.41336 59039.93709 132461.8144 41555.99126 111373.1826 38125.48016 41110.97969 53320.47731 40733.0658 29539.23278 120553.8484 45283.72282 26772.46108 37099.10709 73872.02178 61630.15671 34545.3547 44436.96951 61430.40805 82450.7849 57652.09879 19238.39183 56346.73283 73581.36606 15821.71208 34203.33729 37348.66087 67529.06263 43402.1757 40134.30454 130683.6518 22600.52222 40353.46615 51437.62951 187333.0141 93177.61025 51831.52281 33545.03964 3-phosphoglucarate 41459.71775 70584.8235 28525.23599 66011.10594 176105.8319 84140.79897 25635.03598 123011.9524 189276.1249 60134.39252 30647.58832 70021.68125 256864.198 67464.14585 78153.26533 68198.63044 100851.9776 72326.84603 52060.95847 96012.02678 12870.73504 45252.21065 64164.70935 54995.4981 225680.4401 68714.11099 62396.07844 100381.1867 236533.3839 72353.38671 63990.265 104071.1102 233749.0617 60046.97484 93325.20915 93282.33408 49683.13714 54368.85528 87720.77939 102977.7893 81671.53267 59016.06762 63085.82456 123070.4108 53943.59924 38374.5156 27052.76036 77491.80546 88434.36886 53800.37592 69829.77756 76576.74954 263101.1078 79434.16012 71353.09101 85983.82722 101701.5474 62102.78453 88661.86284 70518.28763 156327.362 64268.42696 54656.29896 127211.3381 61117.34231 36535.97437 53501.94262 61542.15928 219952.808 45513.3266 73728.33112 63737.09492 297975.696 72209.56033 65992.5895 74338.16642 84679.32591 65248.91738 106949.0727 102743.6002 70855.15448 53827.25572 65437.17009 70991.89075 2-Acetolactate 56513.78218 60425.13517 49990.05976 63116.00191 58912.3785 62332.17295 51024.5909 59830.50279 75924.75909 47517.7858 44474.37019 48662.35414 66864.99121 47937.9027 81464.79645 59138.00713 46536.10088 82779.76491 86122.66968 65414.94472 40305.29427 47794.17404 61634.02924 62739.45349 69571.69942 52123.03659 60569.64745 53535.97695 64823.89637 49823.1785 60687.03321 52120.62769 60078.19839 41882.1567 65989.7963 47931.42176 30856.52326 42997.89977 58440.20645 63038.64647 44875.8064 69423.50054 86788.62457 64957.70323 53415.78598 62460.23707 55550.68594 59048.63525 43578.33628 53348.23015 95775.17738 48793.99609 82416.702 55984.95128 76417.21854 52948.2033 39801.0456 65778.22097 75813.36658 44840.93887 50401.33494 74658.8042 85849.33288 63601.85282 73476.36056 61338.52512 29670.30124 63456.89072 69475.07255 49739.06896 78246.91942 55131.42921 84691.02414 58374.31656 73499.15357 49994.54435 48592.59418 62351.85522 85336.66205 57777.20947 44599.66411 51534.7105 87303.07357 53123.94251 PA(34:1) 657156.7712 614373.3207 842211.4239 573698.9282 279561.3093 635613.2454 631958.6779 632667.6338 230522.4858 822514.1307 683245.5208 613813.1886 144853.5287 734425.4155 458337.4909 544383.7031 270569.8943 256512.9144 337950.2018 334624.994 717595.8868 683964.9039 553529.5398 609744.8022 241729.8579 943496.6389 554684.6662 695301.7638 193141.2742 683986.4049 263473.0023 555680.6116 235471.3439 914477.981 328200.998 531657.1412 451506.5185 1048454.23 358689.1048 547811.5104 280685.5342 440310.2766 305131.5416 343374.8766 611679.2122 784901.026 722179.6111 603718.3606 449166.3218 968280.1768 282207.1848 529311.2969 143967.851 281631.0601 293242.6902 505424.3563 392400.5613 1059377.129 430727.6243 485117.8737 255787.8757 465668.9212 228247.6094 311479.9441 431168.5031 660707.9175 336246.6701 645928.0865 173897.4842 970612.8419 278779.8612 668876.7258 82931.44962 426839.5779 217920.9575 569325.6358 506416.7093 796935.1889 306108.076 552061.4201 372092.11 403569.7047 226256.8639 403177.5678 LysoPE(22:6) 70721.51738 40758.0385 73546.90127 42170.61076 59030.45987 50817.77967 47322.98158 35941.85726 35106.6807 63066.01929 83760.5999 45365.92671 39883.97478 75887.65499 49921.76191 66884.06917 102303.1507 71401.20661 66799.94162 42015.42324 71046.2578 41768.35133 45698.48366 63928.73679 35156.23956 36620.05879 41517.91773 32421.59216 30433.19849 91356.68497 61424.1011 60226.51018 52638.17607 74230.69217 58937.86042 42724.90149 126034.0933 51938.99932 44068.14372 46015.81716 131631.4969 65111.2091 47819.50204 54865.49862 104295.4158 45754.01393 59444.38764 18225.08739 88787.84948 53496.18388 59309.17845 39185.82952 55491.55892 97207.17045 53710.35603 58067.83316 76836.79072 59163.132 43726.58727 45011.13401 49638.01713 68507.99835 53077.8399 48219.07987 61764.94167 56138.6888 0 47409.93804 31692.37396 67899.44791 56832.64242 40328.94065 38267.0008 123029.7008 90415.31507 44957.53524 106253.088 62915.91607 71476.56091 54604.40232 100540.4945 49486.22653 50121.69174 89635.22468 PE(36:2) 311362.8284 494196.2952 511680.3809 570450.5727 245758.298 313896.607 324208.7 497251.5811 244240.0881 354913.8168 519960.5634 542042.6914 297922.5367 358309.1292 353159.4333 494229.3039 173486.0774 366637.147 293062.1869 425147.4203 305574.3364 452755.2092 362147.7035 577886.5986 236788.8593 339336.9148 320954.24 448041.8169 241884.1127 351377.4835 164022.2582 555149.2443 246004.2642 425090.8812 330957.9608 485396.3852 228924.5273 614910.1713 241006.5243 438303.1472 133410.7195 373728.7697 348270.1708 302550.0661 328570.5738 395667.3615 513676.8585 521782.2452 320661.0875 355609.997 306555.4334 533356.8679 206848.6024 494757.8644 306549.7733 511953.8186 250001.7352 430465.8788 346886.6338 449538.641 197807.4026 416063.0088 293482.8894 318857.6048 239848.742 418849.0917 81056.19459 561655.5382 250591.1806 654443.1373 302753.9454 512696.512 208716.0242 354349.4377 344047.1295 496532.0746 265400.4951 447191.6682 316050.3096 578128.9686 211190.229 412215.9235 447723.587 318361.675 Hydantoin-5-propionate 138659.2962 104578.1599 68750.9044 250760.8744 186996.9862 103479.3933 71976.35408 238338.5838 194521.2338 96545.30851 66521.72089 196780.0258 221844.7036 93620.26347 98358.91178 237699.4795 102335.2435 77060.8025 91320.78637 175408.3361 102135.0163 103438.097 89874.42792 213676.3936 172786.9173 110933.085 99298.33633 219953.3164 213972.7166 90980.91326 101396.8536 203339.2361 224321.4224 103572.1364 115090.4658 229855.3565 116674.4995 76388.76803 104389.5839 260584.6231 133851.9058 73794.35929 88595.80729 199333.8695 134498.3617 112938.7304 75351.54876 217570.5639 123002.6704 85281.57434 142691.284 214462.309 207414.1858 122133.1202 109157.8365 236724.8812 140900.4446 100736.7801 113804.011 226830.0897 122798.0135 71145.364 112832.4634 185163.5895 211073.7359 110317.0346 70991.5513 242092.746 190798.6379 68303.58097 122682.9847 239683.424 211676.0037 115675.4641 113373.9376 234612.8724 127162.6956 95958.7412 105829.0965 247431.3347 105624.6675 69846.42138 99868.00918 134548.4106 PG(36:2) 359281.1588 365323.9454 505915.7339 229555.4299 171260.4494 317847.2326 355974.0166 215033.9281 125036.449 344021.3847 446129.1039 250449.4499 111906.9008 327633.5078 126654.5736 206101.0389 48647.68655 36361.92041 33663.93513 113175.5755 499614.8073 452926.2879 188009.7573 245580.3044 163321.0316 319374.1008 155000.7747 255855.9004 117005.3217 455509.5595 188609.3085 277390.288 126397.9777 516788.8559 110182.776 223562.7135 324074.763 637190.6629 149095.5632 208324.3938 34672.51746 93262.66596 0 78900.57609 365329.2977 382378.9747 392783.3677 264570.4537 428674.1642 417556.8597 131687.7523 199218.5446 83790.94938 185419.5537 136568.2065 205462.3546 336618.3808 530985.5142 129339.826 234702.8534 25555.72237 52484.92239 0 84235.28641 123523.1357 414198.9459 238021.9297 237171.233 104609.0678 497054.6887 140139.2462 245900.0851 61061.90855 241909.8924 155154.7546 218805.1902 350525.3972 446520.5229 102592.5848 235792.0286 36851.56858 44744.63087 0 102341.3062 3-Deoxy-D-manno-octulosonate 8-phosphate 22212.38173 0 13346.20916 53266.26885 82961.60106 22995.79906 31963.43668 32456.82178 92841.94628 37658.35533 12973.49936 36566.2487 106172.959 16827.4824 70900.68432 0 20220.63311 96652.13603 103978.846 71281.63239 0 0 43472.92974 23915.3255 67093.44358 20049.15348 52206.17652 29338.17578 79588.71466 20495.7821 0 16590.91742 33998.58141 0 24360.05253 0 0 0 47995.10867 0 13474.30061 102243.4579 110288.7675 78722.06008 24188.61502 0 30325.16498 17501.61501 23432.23561 36963.09686 25283.91816 38315.96948 59423.43837 0 30184.83634 21435.1198 14776.98401 0 106343.0761 0 48223.7053 87622.10419 56397.22341 69998.31347 81663.96539 0 0 0 75681.66352 0 38427.332 33778.71215 85227.77706 0 43427.54005 0 0 19646.7914 68243.26076 0 0 59450.68153 84581.47256 43072.4134 D-Glycerate 135063.2876 72257.33409 48810.02435 79083.74164 112372.2991 79990.65475 60953.03379 61329.65212 134747.5431 76050.27883 49872.28634 51860.02584 156249.4768 73885.61825 84906.95593 61422.2459 119191.5724 65396.82761 64099.57058 70041.89791 138311.6602 50669.20173 50083.05557 85759.08333 102120.0726 67058.8969 62625.88966 57631.83692 144661.3918 61145.01308 63555.61048 69059.9051 137463.4457 69103.65638 87804.25137 72622.57663 90006.68773 60453.90553 98359.90734 60437.90048 122493.8387 50406.66081 73542.27142 76122.41602 123095.1108 70009.31443 66074.49057 75869.86528 88954.93846 60413.11532 80444.63016 66939.00942 159478.2439 69570.3631 81252.79052 58944.14256 159051.2927 68746.34844 106748.2711 71810.47817 142535.693 61150.89383 74813.29571 74538.11798 225299.6475 70964.30354 62804.71608 76834.05093 216750.5038 61595.31887 76663.55601 62469.71844 153597.836 71496.49666 95574.27982 68071.72594 110829.5772 80237.17397 104575.6325 68398.95444 94695.67214 51394.84555 64565.90469 61943.5225 PS(42:10) 295289.6933 276619.1105 355712.2334 175872.3983 137941.0575 260093.2408 324473.5064 208441.4651 130038.9692 326908.0962 413020.7861 253505.5689 111543.3393 448922.4933 157262.844 161436.6035 177864.8504 270569.8943 196778.0089 189306.1317 395104.2958 422440.1017 187361.7597 206721.9812 108432.8706 436829.4575 188018.0519 192703.5404 103504.7322 390582.0618 294233.4617 185835.6964 103220.1964 379726.3253 145062.0135 179769.3089 274186.2264 591400.4227 187709.6094 161442.5642 309470.5442 393824.5651 196400.3331 171957.3154 310894.7505 289933.1092 411406.2915 185307.008 323345.7781 433318.6767 172319.248 170352.0125 84216.25827 212894.3631 149642.5055 180699.1689 245503.4082 434335.79 144893.7577 158582.0985 185069.5953 382983.5422 153089.4321 214127.0391 133867.577 287424.8082 217197.6477 176537.21 95749.72874 496105.331 156459.8403 216067.6269 67954.55999 301873.8156 251995.9958 201175.0197 354408.9493 394108.0633 138865.6824 150348.1094 301904.4971 385702.3919 150776.9896 274633.8744 PA(36:3) 267991.1428 226723.6004 225699.7869 182527.8108 108546.5818 159566.6482 191935.5232 190093.172 63712.0956 201179.3107 238044.338 179936.1792 46840.97072 212804.0824 88941.45237 147173.9539 96385.77976 77305.31592 97972.19971 133443.3457 210889.5712 217380.2007 113847.6155 186508.6613 86375.09338 206862.6384 80540.93221 192781.8019 64225.39912 205241.0253 103836.6859 166124.7431 80065.20818 259355.0196 31636.85993 177442.2071 168300.4626 287508.4111 78758.54249 149297.9402 146297.7332 157533.3177 44023.70568 102530.0253 196139.5957 219566.8942 185804.858 143369.0391 205519.5963 236410.1218 53602.99349 147691.0136 52725.32051 98519.31017 61157.24706 149216.2216 179976.7429 282022.7106 57689.44249 132900.0056 76285.37934 131629.5852 31908.4513 78833.14829 104747.168 198425.4439 117904.9786 185364.5261 55774.70224 346268.2201 62706.71935 158512.755 24140.50632 109308.4765 72767.83654 192791.2451 164867.9151 228466.8186 67383.14843 122901.0658 129985.8952 106922.4376 38298.22472 102413.5545 D-Fructose 1,6-bisphosphate 16177359.95 7695215.025 9332847.963 9833022.936 23319409.52 12473709.06 9360513.886 10923446.14 23565183.08 12642481.41 8308393.987 9605249.138 20295473.97 9885149.934 15409317.48 7977822.859 55767664.38 92392985.31 55725799.83 41018564.76 14267859.66 6614045.085 15367530.56 8566690.028 25733585.27 9582724.771 15816331.65 10467689.81 20640110.88 11723498.21 9724127.488 10301369.01 16057227.36 7089555.702 12722013.8 8278227.758 6472698.539 5033761.438 12950699.46 8090776.036 52800285.65 86541019.64 46327597.52 48292408.71 21263463.24 6948399.763 8727157.575 9983570.247 12644140.41 10710524.4 12713259.68 9416669.096 18946474.82 9813412.676 13424842.5 8253829.075 10443768.56 6899981.546 19288077.97 6382971.74 66659089.14 82816625.19 40710101.86 47348003.59 31687365.95 6590476.304 13301347.03 9896378.781 21629610.94 9558115.244 12177634.81 8979439.378 21619670.24 10174765.62 13970643.05 7735025.419 8787688.385 8862640.308 16844679.08 7578867.98 47319397.25 70360006.67 44368408.5 32453245.06 2-Methyl-4-propyl-1,3-oxathiane 104711.0959 203852.4898 105296.2645 125578.7212 90100.28868 112672.2837 78429.57581 58498.90571 73402.68801 155151.9261 96964.80535 65122.44287 57615.29025 36963.64352 36898.52564 69468.35263 181852.4407 127337.4662 29231.38506 87879.11694 121019.8901 190014.6052 74491.243 109313.0312 72974.8186 185968.8294 44001.77207 60824.6162 62651.72993 117025.5207 40597.78182 65740.10623 81587.91613 153926.0939 35182.43031 71233.88592 143944.8677 231567.0084 31729.36286 77052.88789 155338.0679 187298.9855 31375.30858 79291.20784 102908.7139 219033.8698 79451.83861 122322.3257 106847.8054 128623.3569 34591.73841 63039.67465 48547.87849 81248.79813 46689.54309 78428.46995 117795.9727 140881.1614 31882.08784 78243.21904 106278.5309 191487.4937 49273.10139 63261.97981 115718.5058 39829.98036 243517.2405 130171.048 79674.60618 195912.7335 32272.97855 54234.8373 53858.17096 83861.43968 47152.10785 72556.26004 104776.325 74518.19007 37913.46283 83421.4878 137951.0473 287470.0747 38145.18323 81099.93566 Cholesterolsulfate 815260.3399 1328652.52 1575597.207 802920.3575 594619.0451 1170389.461 1350790.09 749262.1296 491519.9081 1560803.612 1622905.148 811950.2395 380833.1894 1737071.69 619822.075 668012.9851 1608929.233 1489954.608 576066.6223 797644.1442 1279692.996 1580468.264 896932.111 784626.6939 430655.6399 1446652.606 762160.2797 756140.5213 439725.9523 1635823.98 884749.3092 674964.6644 497046.8803 1769785.524 442971.6707 696848.2539 1168418.404 2162049.109 632806.3025 649243.0822 1619719.498 2002110.842 482269.4539 706777.0081 1072635.294 1272399.934 1498150.453 718074.1627 1282568.421 1440544.599 592563.8828 652123.299 352169.0063 747141.9438 554907.8992 752307.8474 1012728.647 1634098.714 543685.5758 607379.8815 836672.7008 1729665.284 494708.5177 659741.3599 462829.0503 1163300.334 2144627.725 755885.9133 484622.0753 1966087.238 621375.8141 742772.2604 308231.8222 1108449.772 668935.7516 743172.1727 1024084.354 1627916.336 381385.3267 716710.0322 2068853.358 1886522.988 481005.3296 1044366.923 PS(36:1) 2787601.502 3163725.254 4847663.586 3058961.299 1808373.523 3333128.937 4070604.497 3103862.905 1439033.591 4319292.7 3860372.446 2980651.941 976359.9016 4117955.322 3566269.7 2749070.903 1774502.184 2421430.496 2713789.793 1915436.884 3220147.133 4117995.641 3908669.075 2951109.321 1785692.549 4722921.332 4158324.158 2981683.463 1252954.178 4039757.428 1594405.269 2730766.941 1655353.403 6243684.102 3233291.747 2879412.706 3483882.467 5754709.47 3104983.95 2707681.278 1873862.407 3701369.841 2663786.683 1822459.072 2806381.169 3792996.919 5163607.15 2753666.143 2599779.437 4762961.7 2390374.922 2356172.022 1023214.301 2019210.469 2865391.799 2753233.632 2263442.495 5090933.344 3661246.887 2597291.815 1518558.629 3573736.367 2434472.555 1805414.906 2186792.985 3155855.341 3105504.628 3064801.341 1259643.997 4622617.304 2419253.752 2900628.899 924871.9792 2257477.725 1494767.756 3089087.452 2907229.705 4328830.603 2888940.795 2885348.914 1802091.645 3173413.96 2373369.404 2217587.791 PS(39:4) 277478.2538 487338.1537 815293.273 219877.3344 143300.7329 460309.8982 607051.5023 218790.1465 111333.1257 674257.4469 805072.5403 276178.0221 88248.50197 680193.6131 449081.5817 226094.4952 202884.7392 467459.6245 377284.3843 245167.6266 315487.6962 706891.2845 525816.7597 284092.9336 94433.79879 674287.6576 470629.4386 230104.0084 98065.93101 681465.9048 289282.4125 252991.1822 104569.7023 814978.7599 388897.9655 222989.028 298804.743 1060306.815 431872.724 225170.9324 235736.504 782206.3182 495750.7116 218088.6554 305537.9308 546451.8712 775402.0538 213694.1001 282207.0688 717595.1999 400225.4977 201283.6588 72643.25446 353026.4809 373116.0954 210942.8076 231178.1206 816582.5593 400025.9945 199162.2666 184660.5679 688928.7879 386852.7883 182970.8654 175159.4624 573022.2562 381976.5733 267440.0981 78833.59687 862518.5592 329361.0204 250323.7804 61742.40176 376101.2633 296112.9416 244460.4957 252404.561 649610.8844 343920.3712 191956.5735 216704.4493 664897.1281 401166.7672 309618.3252 [FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid 338489.4424 257102.5926 445815.9576 158239.0837 136003.1107 278986.6765 371159.7724 214847.0422 102862.3629 293391.1881 480417.0332 153283.4445 83829.63895 319475.2247 230483.9857 148232.0046 346420.2975 312487.1835 222378.0064 142442.91 339941.9159 401131.1036 302520.3509 163391.5463 161462.9432 270569.8943 240341.2678 169209.4243 103442.5407 399653.1966 340363.4478 177114.5666 94490.61696 309610.6651 193697.371 135846.5519 275305.5653 431121.1539 207115.2416 132457.6074 355009.3848 360454.913 231470.348 170586.5983 374280.1851 367789.7733 338606.3921 151485.6756 301532.2331 361968.7865 248946.7493 117967.4584 98426.01723 377535.3398 206707.6185 155461.0875 305378.9205 261253.2555 245830.8979 144862.6227 267949.4338 281046.6526 205709.9377 121243.6172 115609.0218 358922.9164 317140.3722 143578.0174 127960.7496 310283.2497 230076.8536 172330.1586 76330.98922 377745.2083 295444.2563 132160.5822 263649.4601 325458.8859 238455.4427 138823.4148 379712.1766 314315.3245 254894.9144 225433.9444 PI(38:4) 1843350.332 1268708.827 2005000.715 1113721.209 1010504.92 1284449.389 1756500.612 1346298.183 804478.6475 1869398.163 2040707.009 1434969.577 655854.1286 1864858.685 1483523.896 1099766.138 1919078.983 1513852.277 1520409.569 1580094.297 2168224.465 1872117.603 1543723.192 1146439.683 970019.8166 1908059.855 1582092.887 1088792.587 641503.8522 1566093.59 831762.7106 1175154.075 879514.7273 2458682.756 1173694.108 1199588.136 1738532.607 2484501.765 1324639.569 1108640.436 2098244.087 2334712.127 1436234.443 1401244.008 1873552.603 1576339.313 2162166.655 1161284.242 1636038.143 2014764.183 947354.7385 993770.5168 570874.989 858280.8497 1101135.321 1209407.661 1726629.745 2165948.879 1344613.402 1099913.324 1633297.273 2055519.756 1136198.111 1316106.229 1142302.518 1429306.902 1411645.358 1297447.061 764293.5775 2340847.495 884628.4777 1188615.776 495138.7582 1015629.685 708502.1614 1223889.694 1944063.824 2010640.642 1112895.545 1215393.898 1833038.855 1880329.353 1018821.77 1848049.693 Miroestrol 131916.1037 181034.2563 124604.2556 153680.4854 93171.36232 184685.1484 94862.55541 129144.8436 89014.909 141520.0638 84931.75039 134686.5099 121930.7574 137151.6987 130164.142 101477.2395 109753.681 80681.11069 78692.36862 46175.85482 134450.4844 154608.4168 142036.3222 117700.7807 98005.27983 144865.2258 98901.16144 94078.95561 89189.24676 129216.3998 122226.7294 98088.29001 104978.4897 154473.4726 104337.4572 99755.43104 167725.7802 118071.5176 123178.1575 108163.5771 92536.12622 62633.91205 99071.44186 45015.54799 114033.865 213923.3466 126367.7552 129697.2982 105338.6848 134084.9938 117390.6095 131294.3884 110291.4938 141860.2264 128925.0475 118091.7083 120299.4039 148255.8386 136437.2768 94417.02135 86463.99476 66658.40309 69249.30601 45439.87302 130452.9763 206203.9765 120090.9798 155232.1622 96402.8596 136781.1762 133626.775 111938.996 116884.2857 138293.636 148436.7232 128960.4142 130074.3946 187656.8641 161296.6391 111324.9997 113844.727 73990.93726 92567.539 40518.57857 N-Hydroxy-L-tyrosine 141023.6163 77614.14077 51988.55511 46807.47907 34754.97126 78264.20906 33202.33289 28603.85256 0 20246.3237 22721.41574 7169.339699 11634.89141 28997.07312 0 11072.22128 75629.65881 52252.352 25278.62081 21355.03583 83914.99936 34770.85492 26821.35328 37681.28245 37696.27632 37126.96551 29983.85588 32154.20796 33188.14756 23191.4137 28277.84207 0 32649.93306 33051.56106 26415.73369 6663.753074 22915.03484 36911.06063 34488.8159 43410.86587 64168.18739 64449.47454 26043.76073 20816.24204 40975.70056 83257.39206 32065.02838 39999.73317 26807.94377 22027.8706 0 21258.86957 38611.29197 26397.01896 20544.09476 37590.86912 0 23913.23885 10579.91735 32394.39206 18169.23838 23608.63761 22931.40321 16413.39015 198340.2525 84490.77854 38377.75549 52909.87012 28430.91015 0 0 0 36035.01255 30328.3672 24945.59157 10507.12813 0 34438.48622 0 8448.062624 25312.61296 18045.88198 32708.96182 14976.33233 FA (8:0) octanoic acid 762777.8263 665438.2901 1457738.727 613890.8032 789748.9076 631564.5939 1042854.852 547831.2451 626618.7197 695551.492 1406840.757 471040.7087 624814.0098 732599.6152 919070.1954 550289.5087 1271071.793 749021.3208 937739.5615 500581.1006 977147.7449 597049.2587 1079550.133 583302.5277 668601.0078 556440.2453 754589.0843 491706.9339 740611.3905 764966.9365 1300681.221 468960.8336 592742.569 789257.9997 1017694.335 560959.3111 1035636.179 673832.9014 904133.159 516601.8139 778945.389 717811.8796 999592.0281 503963.8405 915709.0915 582030.8193 1214372.085 569004.9607 615689.117 725326.169 1107714.974 489854.418 706365.1896 821466.055 1046813.034 563166.9502 642756.3511 585137.84 798729.3547 532907.2827 592460.3044 730834.0961 1003241.001 502405.1223 824707.434 596782.3807 3167789.721 662501.303 921463.9948 642021.7479 1124385.863 523096.9055 763232.2786 787940.4341 1231076.591 542280.7891 559744.7652 597397.1188 978456.5684 576506.122 1529157.575 682772.1855 608855.5344 418802.7131 dGDP 10754634.65 10248226.02 7744278.097 13832947.8 36326251.48 14109605.33 8126957.793 15660161.73 36101860.47 10704582.8 8163900.179 11874205.63 43698388.94 12684484.43 15761530.45 12727197.44 19419097.42 14102087.23 16175591.02 14888771.24 8589155.717 8208162.566 14769904.37 12673395.95 37576377.1 11100780.18 12513322.63 15099410.97 37433655.64 12721242.74 12219700.03 14291989.43 37829739.04 12177184.04 17078867.84 14687457.19 13726165.31 10056801.99 16520443.55 16447428.49 17915791.99 13212959.25 15470407.11 17236441.47 15014608.73 8206248.621 8255419.327 14975355.37 21443778.67 10540516.08 16220365.79 13253089.84 42677412.99 16682801.55 14614385.51 14166262.17 21061599.93 11209518.86 17463530.05 13124594.28 28868109.47 12422493.78 15363940.36 15925497.44 19804603.72 8302784.487 13301347.03 13785750.54 37736768.02 9216753.985 14883775.88 12740679.56 48696732.96 15397211.69 14497837.13 13268137.14 17741182.21 13444191.23 18241129.16 15457375.77 17038687.07 10397645.43 16868781.05 11233815.6 Sulforaphane 82692.40883 144473.2059 228528.0618 133469.6631 177470.4616 194114.9881 221661.2546 93032.92303 166779.9616 149669.5042 164823.1278 72864.29967 191873.4808 280065.2971 280198.7365 126155.5079 22831.18688 271552.3548 271666.1627 98647.67087 37368.92974 108660.3432 320576.5324 136906.1289 141596.2564 130573.1345 205589.2262 91882.4053 175454.5316 153518.0138 337116.6488 82286.61494 140274.6087 231895.6546 238220.6071 125523.5326 38680.62101 150237.2716 302583.572 133966.4661 67322.066 178367.0901 339445.8454 157267.9591 55872.79069 110723.2125 290333.9578 177830.9075 57646.34747 199228.6771 307483.3096 98697.0802 291831.1224 256370.834 305795.21 121458.3641 97522.87055 209534.701 221179.5722 128829.7639 72660.89095 281789.2465 252064.0227 115329.1339 127085.1106 151134.784 134981.7659 126136.905 223469.5612 143679.8872 401586.7099 101278.2672 259374.0897 268675.4913 295624.683 95733.43001 111277.1741 250826.7354 166246.8092 179451.0793 35666.23244 137837.7083 326962.2513 74279.87296 Cys-Gly-Pro-Ser 71485.52281 260291.8555 128378.1329 173112.1639 77606.72341 246119.0601 178378.8891 149773.24 106768.4245 267758.7301 157962.4489 198059.4336 141262.0977 257789.0187 197360.9286 209426.8527 77927.28192 217368.7065 224379.8747 91047.11015 76900.22845 234953.0421 179791.8902 158477.3591 84434.00665 245029.0716 195085.2009 168436.8097 112817.5341 192086.3612 191095.2807 183569.6852 114509.917 192229.31 219199.4537 224605.0236 87252.53035 201801.8225 194614.1327 208252.2319 55933.14453 160537.7567 210774.4842 113346.9483 86485.13626 275797.5119 164675.0876 162243.7372 63008.50689 223642.0451 249348.9706 156753.9854 134772.5909 255982.4794 228106.5811 226887.151 119731.3336 251729.1716 234649.5144 270039.567 60088.30206 207115.4653 248630.7354 104352.4803 97029.60442 249177.3494 113108.1324 154085.6793 115920.3692 167771.258 196355.0325 162063.6672 151551.8713 202058.985 203704.7986 197965.8926 101314.7413 314643.2302 229234.5901 250647.3342 59183.59958 184988.4041 224825.8866 93035.85384 D-Glucose 1-phosphate 8318881.035 1551769.829 6262583.902 4697770.755 13657184.06 8374205.149 6415958.167 4520876.022 14327631.31 7918689.288 6012427.468 4362032.926 14469022.12 7550303.763 9245590.489 4304431.288 11850628.68 13534761.88 16708852.26 12953230.98 6747682.053 5918224.39 9049767.998 4595345.324 14336011.17 7781850.42 9210313.612 4777846.401 15292445.79 7022796.975 9207802.134 4819682.492 13970694.99 6670395.04 10107901.38 4999074.197 6142899.32 5442241.308 8716816.947 4352887.179 10417993.58 11976658.97 17059259.74 14426977.45 8188301.927 7686362.137 6944994.161 4772577.242 8333377.892 6665407.121 10345963.05 4675107.657 14736147.09 8680728.959 10111115.56 4781293.431 9399391.706 6372719.747 9991571.922 4517073.127 14321581.58 12499175.84 17013176.9 14711446.06 13533145.87 6465791.538 6456801.267 4684829.986 13806134.64 6092788.56 9978895.191 4575307.296 14797929.63 7394730.619 9138030.675 4314991.533 7925364.13 7849128.441 10036984.95 4883903.912 13797632.47 10710356.57 16605206.35 10540370.19 Asp-Asp-Gly 60114.42206 53712.6568 42473.15607 167673.3121 138595.0723 60376.05478 45053.87896 152352.0463 149031.4316 58732.18084 34367.41774 149662.6745 162105.9258 60315.33171 65440.59904 142006.8199 71920.96131 77713.01769 69212.43493 120692.6835 58578.54501 41611.81808 55343.81016 153926.9477 133067.9298 55892.4245 74846.06528 151076.0477 145471.912 54707.61866 59062.30254 151861.7987 160368.2981 46755.13781 89880.80966 167253.1878 46725.16003 33937.48609 54409.70335 164968.4525 57308.1273 47678.81374 65515.8479 134639.8975 79553.87782 45350.7908 47388.14315 147139.4274 73487.31823 47803.19284 68191.19183 142106.4193 153569.1775 65648.65018 62238.90808 162218.8372 84493.8885 43191.20964 75926.46412 146659.8314 81374.9887 48164.86779 68641.4552 144020.5712 125094.1462 32535.11183 38228.03141 168437.938 151440.5407 41268.54268 60718.25402 143562.916 159914.2594 55520.37359 78005.9147 166155.6819 69492.08507 59219.96084 65385.09292 153607.805 64231.98705 43751.9654 64859.1041 85900.98323 N-Acetyl-L-aspartate 25105.29024 19814.97098 0 45049.06477 69126.94473 19015.98614 16202.0606 40411.26409 68146.90841 42000.27557 15202.05954 47715.4991 81100.02211 34245.38106 53131.85981 49316.44978 66495.5409 68992.46095 101423.1499 129685.3035 24806.96707 18544.49344 40954.99254 41107.35601 84376.85182 19318.06489 49530.73922 38060.70181 73053.51757 20024.90482 42808.3905 49505.14359 68549.37097 22080.09134 54067.21415 57095.27429 18463.93421 14743.62853 42055.68752 42123.10333 58590.65162 63118.07935 78371.31196 146715.2302 43431.53224 22714.27453 17962.93866 48863.05752 59160.6408 23328.55548 48721.42372 42620.94853 80097.47824 23018.04769 22433.78705 48985.34775 68782.42177 16756.20388 43158.36753 41437.90978 93666.50604 67118.142 104747.5424 148283.8555 79099.57007 19939.12146 0 56152.96794 80183.11058 17234.30487 49663.01698 44406.30321 92224.49695 24448.62206 53293.35253 49720.89643 38200.28478 36666.76988 49055.3889 41435.60943 58372.14585 61277.87349 110638.8453 92697.48501 PE(P-40:4) 257427.2436 270569.8943 271726.3649 298600.2435 182339.5787 141756.6103 201124.3597 227174.9336 141778.7752 216748.2064 285421.1711 266426.7561 159390.8144 160266.6428 349190.7636 251206.5103 213868.635 181195.219 388026.2933 249194.4343 195159.2718 259714.0208 256801.3072 309147.6271 207371.2224 258602.7848 225874.1082 256478.1431 123359.2875 134176.5024 184796.8509 277623.4608 152441.5871 210010.9981 309910.244 262730.464 167211.9127 334256.2812 262769.0695 216030.9573 141977.6448 194600.3889 350354.3117 205624.9333 186982.7185 262858.8952 284080.2074 316498.6913 175314.7445 193532.4951 249183.9722 281943.1652 113836.5344 297428.8145 287893.0391 285628.8164 169514.6434 247459.5232 349370.4625 278919.5219 131034.1063 244465.5236 333150.7986 235678.1917 213037.2798 286238.9327 122868.4354 289252.0115 72052.67069 200482.2007 124514.8889 285133.7058 120202.9806 147310.5437 245717.7184 243907.5282 117434.437 208145.1394 369798.1186 296304.7357 68144.90214 110667.923 360191.1965 100748.6137 ITP 522295.8305 272137.4468 459269.2828 41232.75755 2109199.248 416962.3534 378265.3049 52368.69929 2156401.83 317727.3015 366361.9066 51483.04227 1589359.081 348745.0006 702598.1769 36614.84491 901046.0579 225350.8474 355911.3292 37323.30259 386700.7175 231319.8904 622511.6632 43788.20614 2263101.645 324688.3917 785312.1498 51754.59167 2159662.053 379933.8932 605272.9909 39482.28785 1155460.277 363518.5409 773586.0663 41601.46474 414779.3535 308739.5096 759376.9232 35539.89012 705988.3082 238194.667 405403.7954 41645.30343 671958.3099 238725.1801 372430.7124 46996.64374 1252635.02 359472.8518 687273.8315 42432.18941 1654243.51 463164.4466 674051.0929 34882.16972 723106.1373 317118.3236 696652.2521 33113.62358 953868.8835 200716.1197 453090.9289 42971.85889 978332.639 221992.5361 635419.3525 46303.3643 2154387.024 267791.6136 710476.143 51878.00413 1725854.327 457700.4637 647131.9381 33569.13108 550660.0778 403963.972 804279.8593 46797.79782 684437.3461 181734.8157 467362.044 28094.41518 Benzyl sulfate 907670.2537 947771.855 1065506.513 1031262.066 1651392.67 1172888.421 1212558.611 1046472.424 1334058.241 1115516.038 1506494.163 886605.0531 1353448.716 1075330.229 1026051.308 1122451.665 1089203.73 1405726.549 1154195.188 1383626.073 902903.7907 936277.5869 912831.102 943693.9146 1337728.708 1215924.906 1095168.776 974831.52 1536009.023 1036754.469 1166186.427 1042566.639 1534945.971 1168948.782 1153610.318 1079933.048 947288.7872 1181064.073 1120440.038 1184015.45 1193891.114 1484210.457 1127083.339 1370114.007 850329.7461 800777.6731 1115243.86 961019.2672 1101462.361 1132348.941 1145596.652 923931.3109 1251842.632 1013950.792 1165974.867 1178411.545 1400633.275 1041226.2 1046021.9 1074585.63 1427620.054 1551890.196 1194283.896 1401095.092 1277365.307 895406.8529 1072263.407 890723.8288 1427398.543 1165275.593 1097918.535 993808.926 1397743.297 1058625.273 1288225.747 1048874.909 1302057.487 1116199.047 1121798.787 1129204.448 1207150.119 1307221.007 1309141.729 1158402.113 [FA (11:0)] undecanoic acid 202420.7746 117427.0411 284864.4582 70582.8339 91153.24044 88708.01687 176335.3129 75032.93557 61829.87815 85664.87295 276267.4432 70902.04228 60368.40256 97141.75252 73927.43887 81704.09659 202105.579 93351.44226 134693.4993 89431.79475 206557.6993 181134.2591 117807.1425 104292.4235 75869.56868 91259.19068 56455.44602 79409.98354 76750.72141 96224.63238 182739.2136 92545.72137 63872.45545 98193.51013 132198.293 88260.34521 220223.814 135596.4301 117238.3991 71497.38343 181249.6084 110145.952 119214.1602 70304.30429 179495.1317 110808.0291 210447.4935 90007.75082 177486.2875 76292.1916 152607.4347 71960.35421 74368.29271 88908.11096 126984.7913 78369.23697 118979.5319 88920.77556 124146.7065 73390.96065 117825.9972 110185.7465 130050.0452 64441.84136 82404.45471 101072.4859 639965.8552 90227.40221 84370.86355 103419.8737 139684.8445 81912.97918 51670.22064 94054.27003 116138.4801 77195.76924 134256.8756 79701.53498 87410.64269 84417.26019 222963.0994 185790.7891 134733.9387 104380.3932 Gly-Ser 81453.7518 64625.30376 59511.97443 144223.2235 105677.949 71276.00846 54380.43037 131777.7385 128700.4668 69564.75651 51399.87376 143144.6715 134057.083 56816.61807 78902.16504 136654.8024 62679.05808 55884.24415 71813.95129 97461.64646 63983.30898 41835.65405 78038.58797 145191.4914 103132.8108 62652.53353 77656.72447 129574.5705 129729.0046 62484.76443 85713.69285 136825.4688 144302.9061 62159.06752 90892.24652 148901.7903 71637.10291 60142.981 50109.12487 135505.39 49864.06825 57791.90095 52382.10598 123861.3437 74568.24662 56551.61428 58670.14724 153253.8595 79963.38211 54311.59294 73093.84534 131525.8815 111643.8522 72799.68678 80296.30368 159833.8142 84734.8499 51662.03592 106017.6034 131896.9013 62289.14393 59222.14831 67135.08242 95656.17898 125963.4943 66088.16647 0 134824.9434 128579.063 49566.78486 79372.4389 148049.9805 159772.6591 53757.77693 89735.81822 150640.6243 68481.24831 70406.94939 86387.02026 136601.0022 46087.2503 49847.42623 70299.53309 74985.22074 Glycerone phosphate 6058716.592 2293801.939 3226946.362 3755028.264 6770073.319 4500479.976 3750945.487 3399078.945 7004975.01 4678057.716 2892322.63 3141211.433 6636977.831 3184046.815 5495558.735 1986189.353 9030709.843 11994878.8 9420948.616 7239081.374 5031598.927 1644778.99 4359504.184 3217320.236 6297795.014 3525165.177 4970578.539 3464967.67 6621996.327 3380245.801 3366146.353 3306977.497 4593907.431 2136940.201 3918061.329 1946030.806 1171488.827 1487103.986 4776036.985 996091.781 7739157.277 10585821.15 8193081.614 8428392.087 5499065.299 1935121.686 3532091.38 3552975.981 3622547.082 3786195.026 4149053.836 3170955.419 5074241.538 3220075.325 4508267.733 1963948.729 2872977.164 2896127.385 6394438.78 1184490.128 9747673.328 10045349.91 7399122.643 7712796.965 8879010.638 1939459.033 3077262.799 3750444.579 6535787.323 3176768.679 3593021.721 3436180.574 6530707.838 2954884.299 5344680.377 2013889.506 2099219.167 3600360.462 5952097.028 1355318.354 7525208.375 9146800.867 7964376.207 5872298.888 PA(36:2) 260976.983 324201.232 404307.3716 272976.4821 130206.777 275678.7792 305150.2811 254313.5046 82792.89798 359767.33 320090.0673 267120.2768 50157.99328 333060.2802 199110.065 230708.5721 95249.07014 113744.642 131104.7484 153729.0057 290057.5612 365502.699 184398.3876 241109.1992 99667.86899 461290.7856 219328.1358 272627.9127 85621.02895 293854.9131 105773.2286 233025.3194 87256.94803 407424.9529 126808.5242 213882.8478 212282.3148 495963.7093 147370.4117 241348.1114 129858.8472 213751.6341 119345.6194 109706.2365 198967.0667 307486.8446 324606.8225 244368.2068 195655.2712 325966.8941 131410.0743 223302.0573 65860.8665 133783.035 127347.4028 234423.8208 184749.042 435461.8637 179379.2473 218969.2839 85012.99735 215945.4286 87448.74649 127376.5518 138481.5769 335248.6001 211733.6718 296018.6769 68380.95075 465061.2448 139620.9436 229455.9044 61162.43903 146580.2454 80113.16023 253482.3106 210771.6567 365946.2079 144890.2463 208646.6126 166905.3704 166774.4582 77430.10054 170411.9985 CTP 79398.31469 113952.6743 98446.80831 125897.3258 190611.3059 156853.4566 101192.62 139960.7772 280128.8457 127651.1117 95454.75474 173020.3288 461041.1574 160611.6526 203822.4544 152812.8598 64478.83729 47150.35905 48326.35919 34660.73084 50388.02523 101012.2606 151772.2664 117223.191 192081.0261 132428.2011 174326.5237 141173.1674 234533.1255 143935.2233 162932.0991 157116.2075 306382.6426 144497.259 207871.2383 177487.8601 112883.4884 118370.4425 216476.208 169724.0284 69740.67942 37328.15223 61951.99006 52216.39828 83227.34451 98798.40352 96748.20746 163648.9768 168690.387 123377.6571 187305.1261 146260.3392 483615.2289 223353.7047 209154.997 193384.4345 355756.9403 171162.2675 256372.0335 175435.6632 86383.28935 40557.13873 67750.66403 38554.96313 124829.1737 95054.79044 139136.0548 164717.3171 339440.2725 110874.1169 193057.6498 138635.3042 629884.2384 226891.6598 192045.7506 172414.5406 266599.657 202841.0558 270569.8943 199777.3655 57901.48033 29992.57748 71783.10175 23921.08735 Asn-Cys-Cys 324998.1406 423622.4409 358673.0133 440700.458 180003.3989 381706.7439 306193.9738 173339.6688 172108.3293 341999.8277 311889.4115 202052.5607 198458.9038 352573.856 307482.7768 204051.5419 274775.2181 162459.6414 217987.0862 43913.98875 287543.2331 489871.7837 318966.3567 393701.6422 182328.6569 415478.8087 350132.8906 183520.8637 162016.1922 283261.9842 372278.6473 191513.891 194330.1135 344892.7345 268156.769 166368.1156 334698.0895 367158.5946 379256.8754 197925.9073 200600.0696 160415.8652 199457.6332 43473.51647 268276.2337 496265.1279 341570.4316 425375.3975 232449.3327 269496.3448 332812.9177 166151.1863 205524.6667 387801.8979 290064.8579 216492.7907 249119.9982 350498.567 332403.443 193388.7737 187777.5505 136318.7411 194858.5174 43064.93244 281900.8955 475123.2914 478974.1525 391024.9 200633.8118 342931.3872 315666.4402 199657.7102 191528.698 417371.0806 390802.2973 210732.5652 254572.3117 400914.0731 345464.1577 212870.1272 284479.7772 207065.6885 206117.8483 49402.5569 Melibiitol 47849.03912 65019.06984 35294.68705 186639.7094 71668.6573 79521.17328 41464.15136 173060.7373 75074.40209 64768.94049 28727.35027 162708.7016 74316.00654 60895.53752 46537.99273 171169.371 26499.83832 35604.28146 22308.48067 19963.21198 50076.40547 54240.71293 47086.94738 175057.8715 58498.75166 89472.36238 47110.45638 153032.4867 59471.20685 49603.11608 69428.40128 154179.7953 60030.26626 52510.05636 44985.56975 147087.5083 26995.86654 49570.5374 50206.61831 150516.5597 17882.1151 23874.50681 36336.05664 21471.33626 60714.67993 65543.30701 41115.60307 169999.2799 43290.7228 61526.41084 46962.23669 168268.915 66533.26302 66036.16846 65747.3364 145470.4627 42205.66553 66573.43602 52022.44283 140076.8249 17211.28051 21721.46963 15604.88859 15892.80425 78728.01025 57443.53914 25094.94961 195389.7983 67359.57723 47996.04637 55273.66138 151034.7986 76253.62971 57170.18187 52201.81711 160618.5892 38284.75488 65875.55673 46927.40149 149479.0173 0 13333.55719 28062.90684 15816.97372 N-Acetyl-D-fucosamine 161510.2326 253544.5397 25891.64105 180979.153 224037.801 258377.5466 101811.9944 171728.1282 281433.0608 286601.3623 103177.9375 175720.3517 204201.8736 96170.75384 96287.47298 165859.8895 226447.0131 51219.56977 68350.17649 65626.38272 183685.8266 193044.2361 72600.21634 166051.3525 239510.1414 270993.4377 108176.8901 159719.4908 281128.2784 177657.1176 149233.6648 180979.9437 312959.9823 257855.0432 245184.5481 170346.2428 193605.3882 233650.756 271355.0564 172615.2072 41744.95762 201531.0835 49737.02242 62282.47772 155595.3652 238573.24 65533.2385 177174.7722 182769.1407 265455.8314 152013.6926 162842.6413 357444.4752 272900.9701 210411.9031 138405.7873 296190.0088 254231.1447 249013.1593 160491.6056 244859.656 222812.1872 123966.5596 129196.7696 230365.586 221323.0807 17381.5852 170946.3383 246425.8123 208059.0471 190807.2187 181281.2125 205910.8458 88508.47405 196457.7472 149047.5593 215338.6639 305918.3142 296226.3915 137010.9961 255463.8596 26992.67599 57217.52088 44706.6069 Sulfate 4598959.997 5687504.443 3985026.133 5780375.445 5516164.513 4375273.077 3959970.842 5323641.046 5085205.793 3440313.337 3305026.749 4755577.378 4853724.75 3412191.046 5117979.385 5528437.683 3881793.424 4239656.773 5952588.166 5317599.836 3453497.213 4835623.898 5907995.473 5780350.436 5566926.466 3886850.892 4507788.546 5066919.529 5977791.728 2884074.722 5177766.148 5051306.918 4867906.779 3423425.235 5359580.949 5343570.353 3178301.869 2760583.005 4571010.809 5493007.035 2757253.41 3769710.203 6196671.151 6258824.114 4326017.748 5605567.959 5106800.43 5588252.06 3924901.798 3440361.756 5874904.702 4832001.571 5383466.667 3451784.272 5293227.196 5416162.128 3712182.27 3300187.23 4484965.978 5480738.605 3902016.503 3983740.007 6589434.74 6099767.603 5375894.764 5303101.179 4248293.44 5932454.196 5374958.778 3088315.363 5684424.368 5095837.525 5674620.846 3291798.701 5575418.287 5341040.271 3183815.979 3569196.602 4755050.856 5276179.867 3184639.189 3706753.951 6634137.959 4759117.217 6-Phospho-D-gluconate 1064876.311 1174188.353 243708.3155 1441598.977 3035343.997 1418821.014 761597.5322 1617755.365 2698249.988 1187170.069 721910.7996 1410904.741 3235356.129 1199944.244 1340718.046 1315118.507 1254541.411 1115162.666 1173841.976 1256302.327 767221.2225 863479.5722 1330127.857 1188717.145 3017133.982 1257196.8 1360915.304 1398693.639 2887256.218 1094265.191 1138725.77 1442256.509 2751574.192 1136246.383 1445752.74 1551639.788 1103366.168 851133.957 1513270.969 1548255.435 1044210.492 929118.0054 1236090.441 1555297.171 1257676.461 974976.0519 732702.4698 1364543.37 1556885.717 1067395.242 1384730.655 1376952.112 3185712.428 1465776.147 1396776.799 1458511.451 1692794.981 1161045.448 1486770.229 1433044.757 1756378.52 947823.7186 1296570.197 1365711.475 1940953.213 949414.2144 307964.8409 1473412.465 2875725.575 889061.691 1351163.339 1335208.803 3544076.334 1283508.303 1291941.696 1353268.839 1470983.387 1293956.463 1493256.254 1674169.048 947450.8378 782472.657 1119433.067 837934.4661 FA methyl(6:0) 325845.1667 202389.8954 346400.7733 220199.3505 247755.6612 180724.6978 270569.8943 207985.8433 220514.6029 207624.7125 310503.603 218421.6874 248615.7326 257131.1478 320441.9852 194261.2944 282719.9319 198324.5442 300168.1429 183822.5624 279037.869 204845.5689 316826.3213 211802.0847 224465.5522 162854.9236 214865.3221 228825.5086 271743.5367 206009.1066 356899.9236 215575.6356 240943.5444 223875.4409 300273.3458 189493.2254 239070.2449 166806.8268 272141.9567 183263.3986 321628.2736 236669.2125 262724.6993 158785.7934 249103.506 212151.235 334033.8481 225519.0947 220900.7285 207907.031 360275.504 210969.8583 260087.0753 253953.1102 311163.899 192686.7251 185859.3315 195139.2001 266818.4119 211469.0577 162286.4826 215644.9067 320759.0374 170547.8169 301246.3831 189572.3589 713017.6205 222254.652 361122.3755 215244.4617 315576.2707 221130.6957 309286.1747 248725.2127 326308.2295 205725.1318 197932.7325 186713.376 285438.0783 193555.5939 281750.8382 185449.3232 344598.8584 208891.3708 D-Galacturonate 368061.7049 291084.9338 153671.3196 284911.3352 834144.6851 387080.7271 209274.3332 267900.9605 644727.5614 363721.6237 165084.1762 258834.7804 801633.4108 383485.6438 280428.6931 283357.54 361275.8759 250651.3798 243034.5889 300827.902 424972.7224 270569.8943 245117.7419 259196.2842 859886.8612 359740.1429 293561.7549 256792.2896 696694.805 296619.341 297122.1138 258998.8641 654912.7287 353396.336 415762.981 361006.9882 343272.7686 256593.355 335646.0436 273165.1829 360939.0088 181803.2202 274609.0556 397332.0096 436151.5744 299934.8845 179005.0828 304639.7453 412064.3932 331962.5299 290903.3832 256549.4931 667680.172 442995.5138 324747.6836 310367.9978 486066.37 339197.679 388370.4729 236547.7629 413251.158 197286.4787 294270.5626 342916.0413 745583.7099 255778.1324 188443.205 246401.1281 813909.834 303007.4011 312027.3676 278886.8205 816065.6757 399954.1948 354484.8858 253299.7257 514336.7689 356934.5105 451531.3871 268308.038 300966.0381 176520.9315 314205.8671 284067.4191 FA methyl(18:0) 604726.8202 402423.8409 677719.3167 215699.8197 171821.2533 322407.6129 420212.4706 186064.3054 135153.0852 322535.5971 513644.1069 334816.579 96764.61243 350852.9486 391000.1768 163803.213 413304.835 329138.2584 367412.5245 163480.9764 479143.8046 449850.9947 484863.518 205648.3134 135580.9891 329219.1052 416043.5622 161599.2603 135957.1727 354163.5031 316336.1937 165324.0234 144218.2257 360924.4413 272290.661 153653.1596 417601.7386 327886.3932 270569.8943 154057.4293 397804.9436 436695.0642 272993.6524 152646.5924 593529.8157 387626.4473 464359.3274 164507.1539 399506.1933 304569.8058 286474.1821 142769.8503 132776.8716 366120.0826 336952.3949 166084.2287 339382.3623 296289.0791 357425.4343 151305.025 327603.9527 304541.8203 331298.6625 134603.8732 234063.3738 336252.6929 754562.7153 213837.3344 141505.8188 357143.4031 367685.7654 171307.6783 95961.57273 419477.8423 364355.0847 160109.306 322862.5988 272698.81 290012.1069 157496.8049 555812.6794 381305.209 302802.0604 197553.1917 sn-Glycerol 3-phosphate 21163532.53 5895886.489 3598552.567 23123733.63 34839755.25 8243701.524 4709671.451 23876913.25 29786391.41 7167605.004 4328671.1 22689564.89 30200442.13 8103947.392 8505094.417 23021254.19 37145247.88 14588366.1 12976023.57 49207388.94 21605616.06 4611770.664 5409631.579 23684707.18 31877590.05 6563017.015 6299682.373 23529143.47 29646704.72 6154009.679 6470591.91 24036527.68 25582701.22 6873723.571 8435075.939 22262120.65 11791605.1 5101841.416 9546989.99 18503357.05 40488111.42 13058421.71 13045316.27 61504482.79 23433204.38 5014581.955 3985407.856 22609850.27 18624477.09 5916568.057 7819527.971 23280098.6 26697305.43 8242567.22 7807021.733 24695240.8 18102532.17 6699372.77 11034170.73 20888438.78 44239440.49 14109499.11 13020288.44 54132408.33 33227724.02 5293860.476 3809666.685 23588950.92 28808800.95 5843501.393 7258992.549 23435410.58 32534455.21 8024248.77 7895443.021 23693102.03 17409571.33 8231117.35 10473375.6 21431698.92 33799569.47 10241289.86 13705884.61 38624909.19 D-Gluconic acid 15844948.44 11188149.07 8737134.263 10301238.28 22854879.45 11655760.92 8997703.271 9223090.917 26110222.85 11811953.43 7441431.136 8924562.191 25150850.52 10934900.37 13296039.66 9638980.412 18821586.73 18478597.06 21597080.32 16749867.64 13452553.39 8701750.705 13318526.49 9711891.327 23952714.31 10721266.33 13720191.31 9448711.159 24392858.31 9977445.285 12563916.93 9219588.838 21681792.88 9893962.031 13680521.69 9329768.404 10778264.04 7754726.876 12701647.55 8428659.485 18073640.38 15917366.11 20655084.09 20501494.26 14493870.86 10487203.99 10692733.6 10375082.81 15976042.28 10030491.1 13677713.86 8655180.559 26792994.7 12579010.79 13084973.07 9226596.625 16710029.7 10360312.89 13901317.46 8131657.559 25793843.27 15336412.07 19530432.66 19496236.77 11662711.08 6685168.658 8612717.359 4185974.477 24114715.17 8364012.226 13615272.25 10136745.05 26447363.59 10895103.01 13004120.58 9224185.215 13678948.9 12099772.11 13615388.27 8838535.998 17223890.19 13681112.41 20119535.73 14007597.23 UDP-glucuronate 195101.6098 160303.0176 120008.1176 319459.1546 724982.3252 230716.3938 130730.4948 425208.6746 679246.7253 201400.9722 123182.6989 363511.7172 704828.3697 208279.5351 240416.0613 397023.7251 329001.3982 258519.068 291742.532 439389.9724 118027.3977 121722.994 208339.1059 312784.1516 719347.7048 183427.6284 264687.6401 419381.4501 721588.4206 167039.1281 214815.6842 416496.7617 607122.179 170055.6964 278264.9427 418614.4399 192498.6586 144299.226 277053.9608 432994.0913 277766.6709 197511.031 295880.9176 621037.5286 180109.3311 139323.0072 120126.6828 346770.473 310401.3394 177502.0251 252463.1712 363147.5768 707216.226 229564.7585 250747.4612 444429.2951 321450.5204 170366.2032 273111.2017 327344.4802 441190.0049 205669.2657 274766.6045 520002.797 423306.0755 132334.0813 138838.2613 327149.678 690349.9337 133552.1653 268609.6862 372242.755 725097.9614 212335.8641 232041.2331 378371.3761 302568.3755 211377.0809 274121.405 387696.8552 233551.2486 172848.5911 275542.6154 322625.4757 Phosphonoacetate 71635.70962 75842.8425 48345.82272 58142.77006 83291.56257 79983.51367 36874.61408 66911.84727 80126.6227 77838.1561 40325.3236 52659.10032 98488.43046 66093.04603 64149.02307 53342.66155 94681.03819 111085.8744 102816.7948 76644.93999 53568.51985 54345.51556 49371.78369 56921.0979 90586.24099 58516.96663 66585.74394 49858.84991 95378.89057 68709.41063 65356.42961 52739.11223 89949.1347 58747.92987 72895.04914 57016.37035 30815.88886 47985.96448 70273.48652 40527.46622 82458.0061 107304.5259 95687.61041 83124.04412 60223.5997 57711.60995 35128.3817 65404.80341 53884.11499 66165.5993 55736.69082 62034.78718 79724.00603 80174.13883 64000.87219 53160.79819 59424.2272 65309.36639 75204.79026 42803.65899 109439.3194 94054.21344 78494.75514 83092.77816 106542.0977 59019.89417 42699.21046 51648.28248 109980.3589 48594.93535 79843.46337 54403.9768 98400.01703 69538.24821 74147.53365 60296.65311 48134.43359 82278.16325 72678.27847 44227.95724 74053.33746 83745.89412 93734.20024 63618.43695 PE(P-40:7) 165711.8621 141088.5572 104147.2713 191541.3731 133493.9369 127836.0597 109354.4416 216281.832 94084.49419 140626.8137 162630.1633 208219.7735 75672.59117 152905.6917 0 205505.8992 144938.7282 94811.82378 53214.64279 186365.2155 140176.3229 144807.9884 56443.22558 262193.8637 103241.0196 153514.0945 59095.04945 206420.5852 97710.65137 111333.1933 70858.125 223148.7514 112169.0318 122760.9591 37795.21186 217677.353 112246.9979 164752.4029 60594.05149 198942.4238 107368.5349 105781.6309 43325.00251 154628.19 142576.4301 143797.4106 93138.93074 220196.1144 118618.2293 134058.7223 52469.25637 182210.1765 82395.9419 170600.7012 0 239952.3272 144465.6452 144559.9615 102342.972 197841.4743 77243.49248 115637.7811 56658.92783 149333.5747 98850.49333 136575.8979 0 250426.631 103602.4639 184244.1389 63308.98768 205384.1283 69275.46462 125265.0259 80109.19255 202958.7252 83238.99477 151953.0974 48049.46754 282175.6393 108379.0212 126132.9915 47477.00101 202547.0171 D-myo-Inositol 1,4,5-trisphosphate 20183.3168 68436.85986 45585.36714 76800.11164 256979.3703 115476.1764 39651.99453 129150.387 273122.092 94706.98679 57795.49709 81595.92965 373117.5712 84446.40151 97524.13261 84488.07599 236545.4105 166427.449 105793.0938 181660.5848 30095.44041 53399.49046 69316.32713 61901.35864 341683.4105 85595.78403 89007.06144 113537.6485 296180.5484 106178.024 79407.13497 51506.98642 319888.7723 80972.98202 107128.4579 88490.18313 86917.64561 68850.60145 121227.9513 113300.6095 195958.2911 157223.1319 119612.2488 284435.9518 54726.36388 37372.28635 49886.49471 74836.82269 137347.4424 77058.52404 99577.58595 85436.86516 375323.9847 119641.8934 95476.08055 95134.94542 130667.2648 70525.57428 118694.1456 70375.71942 373956.5763 153787.4536 51226.57867 213042.2931 71326.04391 43858.56309 97437.5069 68614.6801 340251.2103 67644.33371 82433.02763 63180.52571 444629.1804 99493.02126 103603.2809 79641.42306 117940.2212 78073.82855 129705.0381 108006.3609 197303.6412 119794.8252 139938.6056 145363.4285 dATP 63262.77453 56300.47014 42533.09458 79174.09292 201629.4947 77338.9931 36566.57085 98009.92577 240465.1519 50116.65707 38616.20738 80897.68196 276061.6893 59240.00728 83135.37284 75272.12428 164160.5381 54260.47162 48907.57922 96812.28082 71953.66024 46004.93262 68108.9288 70044.8271 228450.3763 58663.21659 65144.28514 77117.06445 197725.5484 51949.02717 60531.56415 87182.68714 286760.7335 54924.59666 95322.90837 90996.70681 82764.35066 52228.02525 81639.22349 96850.83743 124568.7804 64200.26466 71005.41211 107577.3438 101318.158 39333.4785 38487.40372 77933.8782 154028.8574 48773.37589 70032.2513 77769.57531 256041.6919 63133.13378 85861.30717 93723.67343 125534.0437 63799.2725 71988.75983 78764.39021 157687.1741 66045.48578 63533.06031 108914.2449 168979.1538 39436.87346 62342.06661 79095.58415 209532.5847 42158.6955 57811.35904 74472.63593 268493.035 66534.37799 69323.45385 75810.15221 112784.0477 70237.03443 74216.1464 79578.65113 122089.3695 53398.18183 75389.76465 75059.15388 PI(36:2) 357773.361 393225.7768 524565.4614 340298.7743 277213.3711 428148.1457 366468.2003 352871.2036 194915.3615 558756.325 531710.7548 364471.0604 152276.1552 526276.8533 306621.0382 290072.6867 212577.7319 194561.341 173324.0547 176672.2648 423544.0892 456143.8245 333071.0017 367745.4301 224985.6083 449496.9183 412405.8853 334957.7659 192496.6812 431223.6003 149441.3244 325916.5514 228231.2325 560134.8743 262822.0735 285198.0589 385254.7115 621247.8266 310620.3993 343345.4432 239291.8664 360442.1636 159696.9621 223102.4809 375425.4016 369387.8376 448578.1106 352297.2233 393828.3176 485549.2449 219698.9228 297218.3049 155817.3071 241781.0494 232934.8777 315310.0969 359890.5513 626326.2404 349535.8122 296675.3303 219307.8409 283772.1008 181666.334 154786.2499 283351.6171 436138.897 365655.9484 341637.3848 185752.3375 593004.778 203197.7639 324113.472 135532.3336 306373.0261 190659.7244 340161.3328 449466.8927 460610.2875 220862.3264 305187.926 185619.4078 232509.064 113396.8182 291994.6052 PI(36:1) 438172.0352 363779.0324 534347.7422 391250.8311 272581.3095 459995.9148 476842.6726 456824.9522 244606.8949 634412.3481 419657.3867 396579.8909 151446.3107 500322.1018 455433.0546 325817.8336 138294.7205 99714.06567 87948.40898 85422.52782 552098.3328 525122.1507 509124.2599 381682.757 279405.769 583002.0047 501674.865 398231.4481 204914.4785 503408.2603 166201.0033 350024.597 294862.2624 771207.8085 427008.5659 408776.6726 602240.9152 820633.0167 435741.0709 418876.1409 137664.8075 166276.0614 104937.7706 101119.0527 459314.2934 477189.001 600414.5347 406101.9683 425358.2277 581556.3455 296798.2258 334240.6915 181834.0974 305700.1832 376770.2759 380543.6104 375423.862 725948.504 516235.7954 400900.7258 95307.94037 141055.2242 125868.7152 86294.45923 430185.9747 369720.6255 421710.5106 456641.1793 218015.3471 540169.0424 251853.1497 394617.0912 170798.527 302597.4733 174951.9356 409662.5006 535709.9193 593487.4359 426729.2881 421412.1003 128439.5359 154626.2778 95008.61828 114671.2531 octulose 8-phosphate 718591.3344 917642.225 604202.2476 347097.1456 1404011.362 1072702.299 601612.3816 518708.359 1526196.608 977381.2405 499879.4912 479736.2008 1366531.406 943595.9536 969093.9576 562321.6234 1211637.405 869021.0667 782780.4547 415773.6361 565473.6232 705005.5855 922271.8882 485566.3305 1499962.379 880398.4286 922619.1081 464011.7888 1442273.954 905454.3029 813921.4107 504272.024 1126443.303 789597.9461 958122.961 503588.048 458644.2396 769167.2286 968537.9836 499058.3185 1112030.743 724826.7729 679224.9839 475701.3917 753743.502 870303.8485 655351.5494 467508.7556 847256.5102 828129.5117 1082803.561 495358.7008 1272844.273 1042880.621 998387.8 508328.2007 721556.3255 852421.7051 1161997.985 442645.3695 1600977.925 756845.9929 640245.7213 468469.5298 1133588.08 819877.3135 561495.6456 497125.5568 1504439.305 699023.3176 1032580.028 474915.8635 1275492.851 1020717.855 939706.0895 509654.736 625345.688 1080331.626 997276.788 501972.8253 1068041.74 671186.14 649771.0594 289083.3914 3-(ADP)-glycerate 52283.95397 44396.62311 70167.22921 37234.64287 98688.36819 72218.5579 59647.71489 23564.04609 95935.97382 46159.76802 41315.52105 36143.21832 83055.76779 48679.56915 69219.26637 36958.33961 56175.92833 151587.1803 219767.6371 202225.9677 19950.94443 48871.95754 97141.76915 28184.45866 124664.0971 47397.56655 98505.38588 30583.6275 99039.78369 42792.22026 69276.11219 36136.35854 76918.44947 41905.02526 64944.47128 28659.43307 23984.51989 28705.80302 57785.8874 18441.75586 61863.22481 121349.3076 172835.5843 275056.7317 56814.6448 30786.19427 73398.49098 33019.14072 62853.87247 60071.5314 95832.75696 22180.19466 81735.81306 54149.22281 63525.63914 37504.12843 39209.19806 38227.22919 76990.78374 22597.43952 75916.82476 118528.4312 157312.1287 248472.5524 92699.55648 33167.20225 75012.45898 40218.33561 105754.337 56746.40886 95779.17228 30509.61188 88109.16715 61117.67296 64119.29321 30874.18139 41909.02219 46664.10856 76184.49325 35569.78573 57485.23632 106183.4132 149789.971 237355.2028 CMP-2-aminoethylphosphonate 613372.4279 723520.9844 588587.4746 1061825.848 975182.1694 705768.4653 496848.4581 1007949.333 1063150.304 663282.7118 409686.5463 977563.0753 1094104.846 665717.2812 745920.0421 1108450.228 700734.7071 688544.9452 770078.0053 950889.2416 586466.5493 519294.6682 703891.9687 1009802.62 938638.0878 681464.7389 730494.9039 1023649.861 1087665.708 552317.6971 781725.9971 1023088.467 1112290.149 595032.6543 778868.9696 1163088.535 608390.1682 498344.0962 799205.357 1043816.191 582567.7391 603062.8339 864424.4679 1013910.321 692221.3055 659916.1669 462527.0175 1068561.956 622288.8457 549936.1255 803946.3746 1075550.037 1141983.46 742282.13 704265.5915 1085804.631 910265.7044 575078.0929 732582.5963 1079162.832 811729.4358 589167.5841 823862.7658 1020420.178 1103591.532 644648.571 555422.9411 1093740.386 1015142.3 504789.2414 655396.6056 1038409.674 1285546.916 624394.7519 734510.1279 1055833.574 754854.971 685037.3927 745949.0485 1090040.744 663632.6693 528768.6915 758738.7175 852501.3271 Hexanoic acid 864298.1007 564441.913 896236.1202 827369.7702 729057.2991 450086.601 751683.9135 668241.5762 606862.0826 534305.9274 867865.8468 598857.6455 535501.361 534748.722 730943.5063 757447.4577 502142.1953 532821.026 753603.9546 678876.2299 587310.455 505213.7572 877489.1967 885186.7796 612869.7088 459701.6306 552359.2208 649485.2992 620838.1171 575296.637 860645.4673 739162.6105 598269.7252 568929.7187 714695.2871 775401.3243 494031.3474 463362.5286 612298.019 765326.4159 631601.7129 549874.2982 694276.697 740582.2162 596569.5146 503133.691 923565.799 798881.376 512397.0089 484761.7345 800814.4193 760051.8416 735776.8407 734500.261 745454.4208 722704.6667 576617.651 478543.7546 676603.5114 846074.486 562002.012 544393.1687 699718.4928 673567.4411 963501.9478 495949.1446 1491460.474 815708.029 741145.2917 498477.0984 763125.5974 748852.8543 615832.7646 657127.333 759089.124 740301.3388 566016.6151 496851.0375 758889.4495 772408.3268 515895.2142 562828.0163 786195.8984 579321.5427 7E,9E,11-Dodecatrienyl acetate 126592.0746 113792.8832 107569.9257 52456.2325 36961.99354 81071.28085 115510.7255 57229.06264 44538.72623 73840.56974 218175.8298 58824.8655 50064.03037 85004.3548 58487.43346 59890.66499 97480.11125 98893.91964 198549.4917 78809.62774 90764.7424 168265.1531 58185.11916 67642.81847 35399.7841 78249.72267 55834.72745 69561.20024 37108.60688 103280.8103 96309.96644 62725.99874 48460.81636 139445.1018 140648.9697 67006.70988 101118.7498 129705.6038 51738.21948 67883.59252 98394.3423 127870.6467 30381.103 54686.90545 112710.2754 83037.11229 103230.9352 60538.63493 110899.8373 61008.37024 57966.53904 62427.52304 44545.61136 107477.0602 121914.6165 71197.17789 93003.47931 102272.4696 46048.12765 62132.57739 70126.96452 107802.9474 194508.014 59503.89382 34035.75228 123708.5721 217103.5631 55787.16288 40301.92986 141694.5115 127236.8466 70793.55401 37040.42396 105950.5224 100879.8978 73128.58173 111966.5103 64494.08906 86166.89526 64852.65579 150735.0689 133310.0664 218974.4458 105119.8552 PS(34:1) 617409.4964 576638.5186 783413.2407 479389.5161 395915.7851 511863.6036 544845.9896 575910.6643 308884.6139 719963.1893 595841.6675 418523.3472 251946.7334 637462.3188 533700.2801 486811.3832 330745.7249 377129.3734 322176.6954 281751.3847 593896.4099 597273.957 557204.8342 466371.6217 377339.2018 600936.2876 553211.9291 565442.4873 270110.4465 602900.4346 321586.12 474061.9253 353730.5129 836431.3219 444837.2211 518150.1653 657091.6276 970346.4359 436142.9266 448077.6565 388804.4532 394379.0651 271996.4121 270569.8943 558938.609 515773.9589 621552.241 474491.9021 518169.2619 637854.6551 303992.506 388850.3152 223766.2854 350298.5753 373895.6709 492760.5973 637846.148 704655.195 527859.306 387597.6614 358337.734 427039.9979 266874.7907 253860.9543 414432.8222 472083.6378 441608.6863 503703.9446 284871.1226 769490.7889 311098.3737 491556.9231 185243.1528 466194.5078 318787.7236 541946.6571 667417.8861 813868.6519 363258.8319 459588.3809 491273.2696 449858.9668 250177.6685 308473.7936 nonulose 9-phosphate 332816.9093 323203.7836 267836.0855 517090.7831 647016.1789 392298.7889 291725.3813 514046.7421 658891.4147 346129.0225 226533.1033 515200.9834 768597.368 392043.8709 437499.0581 523286.2092 247931.8325 284247.6272 307868.5463 212327.7895 293528.1226 258266.0929 372932.7752 468298.9258 686475.1087 382547.947 417260.8719 500244.4697 651006.3364 289737.58 347691.9332 503441.9402 612063.9154 304682.0238 414801.7501 544146.0985 324733.262 270307.6435 441226.7506 512850.2115 227419.1026 235280.8135 280806.3386 241753.739 350003.765 322790.8653 262518.5509 477587.2371 398998.7992 340247.8058 392511.6452 484358.8542 652393.5126 379090.0686 407891.9073 576705.1827 471221.9672 353897.859 427634.8255 503672.3067 363926.1267 240013.1715 296590.9136 257490.5885 570621.4169 294953.374 239440.6974 492936.3799 673063.1575 266344.1885 404243.9342 499024.519 732494.7617 385615.0068 407859.5243 536181.3554 382392.8403 377091.1903 473567.3693 524335.4636 249867.7737 197834.9931 299851.726 153347.2713 [6]-Paradol 327870.2106 352561.0436 506256.2836 140635.1091 180078.464 277238.9514 364350.384 196037.9011 178717.6562 327973.4214 575527.5088 193847.4823 181154.3874 311159.151 219599.1053 147297.9066 531374.5966 444705.9777 272340.1827 228504.1371 484559.763 562527.3363 166398.1135 139367.1506 185952.5623 400877.7841 228546.9253 193233.004 142411.8396 427141.3182 308292.5708 185812.118 169242.2125 409701.2513 340543.4482 202373.6173 878057.2101 466880.9029 249441.2639 160045.4235 611755.9284 408628.8263 185253.7742 180583.1055 343784.5817 388843.085 406285.8186 128699.6447 465162.7079 366318.2103 274928.734 150625.8755 183536.4543 355591.6011 208300.1723 166114.2153 335009.3606 330850.6742 212991.8863 161563.9288 422005.1778 451199.3519 301638.4725 176281.3531 138519.3639 297619.1515 1256673.41 135654.7531 130375.4425 506098.4152 301994.8253 163177.474 188118.5821 336436.1663 298864.5102 161563.2183 446151.4574 276264.9097 280400.221 152567.3956 884808.3705 665675.2902 255670.2908 276736.5526 Phenolsulfonphthalein 903621.2738 2469700.827 2740406.795 2309218.109 1579436.149 1445661.088 1789842.726 1010789.308 1354566.431 1334743.817 2360517.142 1258348.237 1506246.323 1440703.741 1398738.749 1853354.26 810504.8274 1585842.926 1325783.658 1755250.455 654435.639 1843554.201 2722365.296 2972744.47 1414237.15 1894394.154 1528267.02 1064337.215 1524809.418 1216091.669 1780888.971 1306553.025 1858584.037 1564985.795 1452621.429 1703624.371 777407.3393 2226494.509 1430325.578 2125800.228 1104677.573 1683375.245 1299271.479 2360196.182 629660.508 2522463.291 2827486.23 2317862.014 680215.5615 1402561.127 1613426.524 1203792.21 1421360.475 1437299.296 1452334.405 2054578.947 2493797.652 1287291.699 1280662.672 2179899.91 1874546.002 1851950.549 1597311.734 2287351.524 1215496.413 2419420.699 1881854.882 2218160.194 1463335.566 2438150.175 1594996.269 1307247.778 1735478.885 1609572.286 1761665.578 1818075.969 1515204.942 1469207.098 1412454.379 2217939.02 711197.4028 2359246.661 1555457.561 956381.8761 N-Glycolyl-D-glucosamine 368149.8632 182750.0898 158041.0967 693470.255 518423.8617 202366.9025 158780.1091 553246.2052 543506.6166 212630.2584 121082.5604 652530.4731 516497.9028 196271.6612 224125.4272 627630.1023 284002.2147 210660.4388 261043.7098 479635.9495 251362.8551 164486.181 220151.521 681488.0397 480506.6422 264424.4087 270775.717 531081.8323 570750.2557 177623.3008 221174.083 541364.3189 450947.329 191197.764 241900.1337 591263.2764 235948.0748 158601.1569 229071.1004 540846.4683 298778.6343 213385.5733 224019.9881 526636.2627 435427.6673 195689.7997 159947.3367 507228.8058 324686.9487 207501.2556 244409.3212 561643.9316 578157.7197 231423.982 266912.4213 537950.0463 363717.5125 188474.0079 325967.0516 538496.3842 362614.8068 184550.1515 243108.5327 483825.9853 429279.0546 196922.0132 256733.1041 644689.858 415568.1042 175128.1932 197476.9447 631764.3817 549677.6888 220280.1585 290516.9961 648217.4461 276985.7099 237526.9572 260750.041 573929.5173 254602.1732 156837.7685 240021.0644 437368.5437 D-Glucono-1,5-lactone 2598790.105 259611.2892 1604151.916 2043994.949 4161509.356 2352819.631 1704715.202 1974789.532 4100829.655 1998963.18 1443092.447 1827287.47 4209250.228 2073674.823 2384348.413 1839024.582 3081316.32 2953334.684 3971736.844 4181043.522 2426599.862 1676058.483 2091903.39 2191108.36 3883312.438 2012359.156 2119680.63 1834420.028 4565133.754 1880070.386 2235145.132 1928574.627 4166321.156 1685746.147 2326729.104 1821856.323 1959665.737 1567445.367 2214762.209 1850031.054 3225700.859 2684171.139 3480872.75 4722986.562 2725532.058 1907813.193 1707511.426 1954479.51 2508326.42 1889904.119 2281813.987 1837046.967 4344551.552 2121009.905 2367708.034 1852799.327 2971963.203 1876718.666 2658365.662 1787187.787 3767211.054 2520701.315 3563559.635 4300132.474 4155421.757 1895669.85 1333193.246 2219177.021 3959875.998 1709253 2245914.211 1757724.263 4591432.338 1899503.358 2240927.39 1933433.892 2562739.47 2105884.67 2240259.84 1795544.772 2836786.753 2289835.732 3409403.811 3283011.53 3-Phosphonopyruvate 200488.6845 102971.2481 168566.7579 157506.16 293626.612 131408.1366 166639.8002 128525.0076 374508.1992 222533.6124 173436.6747 176210.2099 335599.9248 198647.1454 303289.7088 160359.3538 223421.804 264116.4418 417082.8929 180148.2463 96707.25022 72493.92738 213469.3532 150756.5861 319046.0643 108915.6279 198954.3663 153677.2658 336192.2536 208005.9988 227831.1976 225145.8307 319384.7726 141952.8935 291719.7793 135617.349 100057.6205 109091.7959 308162.6202 111236.942 282452.1783 257757.7668 347771.8251 286247.1781 131656.6517 100452.7089 160275.2194 144888.4596 188297.8819 209792.9014 297790.3258 189322.2821 330879.4601 182646.6373 308695.2787 112859.0228 175807.6123 189729.3202 376967.1299 89838.71432 300505.163 246798.5753 328091.1416 299515.2446 254233.675 82141.42766 95068.10054 136693.0403 291911.1871 167136.3261 262230.17 202040.6735 293492.435 213066.5423 280258.8703 146934.0458 191311.0202 219756.9573 342792.6287 112658.7318 234943.6577 180482.5541 322034.7222 151838.9409 GDP-L-fucose 327098.9466 332711.6333 286686.6802 383822.7187 743666.7698 411895.7079 288026.3683 373456.0392 722112.6181 369118.8154 202876.5544 338521.4777 875129.1849 404035.3833 502431.8582 288117.6639 341083.6868 314734.6024 370831.09 301859.1123 267369.3076 291163.1685 433742.3604 331407.0966 702067.58 367625.9367 489457.9795 306472.2176 753068.3424 324802.6619 365661.2657 342069.2836 712154.3062 329380.8572 429794.3112 373962.405 271663.1511 243425.2299 412319.2173 319695.0223 306245.5783 259188.2772 301774.7507 310938.0958 367011.3895 296531.5747 279655.4992 377745.1419 389170.7032 343542.0358 406534.5077 330552.7685 757449.5625 390274.0136 423220.1514 349521.0218 462170.7555 297179.8961 421612.8942 297629.0875 418456.0406 237405.4783 350277.7945 303370.7058 480611.659 272915.9678 294656.2356 386395.6641 735595.5132 286351.6386 414570.188 314443.3137 934990.1292 371180.4304 425262.75 296605.8887 450872.9228 403731.3875 428699.7556 346832.959 296220.1213 210554.1767 307375.411 236442.2602 UDP-glucose 3051687.485 3623737.911 3340358.667 5209618.728 6370482.694 3510019.423 3100424.965 5034234.007 5816432.01 3352979.86 2810981.466 5016883.643 6218499.238 3759310.71 5600353.1 5146453.312 2528567.397 3643680.685 4480775.139 3995821.625 2460728.837 2393493.724 5029816.231 5395045.438 5792815.254 3510336.859 4722503.188 4393455.693 7278516.974 2848485.798 4590407.765 4818192.506 5611971.479 3464767.832 4783836.194 4677724.642 2434851.761 3132941.293 4792501.807 5003172.71 1839275.852 3362926.844 4151225.769 4287584.559 3374649.177 3145387.808 3091982.2 5826709.635 3598238.295 3083554.874 5567386.732 4448677.309 6421381.829 3949112.637 4647867.828 5319330.461 3549886.107 3364620.521 5357917.453 4626595.093 2573535.348 3246643.287 4391760.218 4283249.661 5580926.875 2784557.882 2805874.392 5758986.054 6044000.381 2525249.994 5066706.231 4290137.874 6669673.516 3514220.429 4610722.1 5261482.625 2792309.746 3879716.639 5121921.857 4769852.661 1782816.283 2666580.147 4151566.041 2857066.503 PA(36:1) 217962.9861 169989.3341 257197.9419 151574.4771 88104.5804 163770.6939 194572.5442 165114.4135 59550.34803 245223.7954 214682.0372 164565.1216 24509.26941 222520.3292 161134.7101 145450.606 93196.87766 99485.91983 137910.0922 94923.52971 261427.7632 207507.8021 176529.705 179623.8 70401.54355 269340.9217 142958.8554 194710.1178 49000.69336 228359.4286 82916.11704 176392.1512 71983.87838 267151.5357 143606.7426 173671.7625 165399.9754 346628.0177 114762.0448 177414.0628 89964.04223 193891.2065 96338.48473 82106.77607 136914.0972 223422.0603 267044.388 167692.0321 136406.287 229780.7534 95397.32098 178764.9726 23012.04078 98076.45905 105373.709 139185.3505 127923.1238 304898.4354 147765.0721 134408.4963 57243.92629 170446.2359 86121.08393 77396.74034 133316.5466 200142.2213 134064.6604 185706.952 57662.497 264788.728 88745.399 136005.9987 0 116568.19 76941.99175 165196.985 152314.9017 262031.5165 103553.5033 156418.5967 129866.9022 139381.8418 87037.66619 89801.91703 Succinate 169687.5556 132503.2797 104252.2762 185772.1661 250062.5466 112917.5324 100207.2717 161269.3514 154484.8126 83050.16614 87639.27653 116377.4964 115405.6624 72764.56543 82035.03751 114045.8734 72476.42841 59281.31995 67099.94274 107386.7165 172333.1646 125051 145646.0377 157501.6959 204212.18 115519.7397 118546.5817 130440.326 196396.592 93492.09855 121631.6374 164962.9244 218075.2913 88590.26255 115261.2952 154489.3603 140625.3841 118167.6312 124906.6556 182200.1126 43785.22819 63007.39788 59858.48727 94957.7486 161443.0209 126668.6317 119873.75 181225.3366 112659.0775 75379.68521 132585.3522 126458.7272 127807.8626 68010.43472 111163.1856 132897.3367 51172.81372 65108.79456 72659.66809 113404.2209 81647.51348 68447.75501 71950.21566 91891.47037 211013.0327 108243.9871 113603.2159 149322.6865 321077.0492 69700.7086 108614.229 108359.901 132011.02 62252.83042 70628.5681 86408.43955 66618.20397 71654.94846 77199.37425 113246.0217 67828.32779 53621.05571 87309.10696 73472.86505 ancymidol 277868.6468 236648.8768 402151.0535 287812.9315 543392.469 255900.266 277877.3536 211722.2751 720024.9785 444348.3568 405539.3031 485367.3254 599684.1588 589076.4782 531084.4935 395743.08 322938.9366 453146.9178 512898.1064 219892.844 326668.3158 227433.6793 411855.2885 295602.3184 506604.6382 215880.5102 345022.5164 216134.1294 657825.4303 466852.1999 557250.5916 426515.8001 535075.6904 501679.6871 603063.7006 365928.0946 378605.5533 401048.9004 437163.3649 239591.7818 414912.9218 324758.6741 466527.8966 276671.6515 288455.5045 257444.8704 406243.878 276608.5473 418609.0173 573447.5329 622691.5135 394857.4199 747541.5968 656506.6025 564996.6577 374036.0436 334402.2893 466847.0569 432119.0321 252166.2612 327954.4237 349025.0835 438364.3045 336885.0403 208995.2324 233987.3343 318171.7702 256346.2547 612952.2827 408717.3556 578484.4823 413488.9903 601277.9907 609779.6127 674842.7965 353987.4425 305373.2595 537040.0384 482813.5598 214955.3171 386302.9769 250155.8178 477182.6727 298269.1377 3-Phospho-D-glyceroyl phosphate 13739675.57 46192655.08 15885698.66 13832947.8 91140799.74 85271093.06 20752767.22 24456919.24 96145946.95 68564698.45 21385083.65 16790278.02 135950543.4 67883861.49 50542561.34 17499896.48 65925346.1 26664291.38 16353344.77 34765280.84 12942986.98 44034442.42 29198308.07 10491909.76 113975741 70779333.45 35951982.79 22324895.97 107891488.7 74830839.64 38982564.18 24222137.94 121563190.2 65536927.99 58207569.99 21615503.03 56194368.06 56434450.85 73636348.88 30184769.34 66375246.98 27044068.64 22411184.36 44343972.78 26644421.28 35515743.3 16353592.57 17226552.58 58692732.85 57037792.63 43751148.82 18397381.29 128223617.5 83681646.28 46562111.97 23068035.02 73976693.98 62416639.12 69854120.22 16729236.37 93727628.15 24614941.38 19009621.13 37778422.17 34107928.63 37328000.35 46759350.72 13887867.21 109528668.1 52228272.58 39154478.59 14879625.76 159523780.4 77796438.03 46217347.45 19996978.12 65244441.12 72777888.54 74273688.6 26647377.85 59357600.08 22124313.21 22140275.13 30719631.54 D-Ribose 5-phosphate 1670858.677 1618480.137 1001775.821 1389477.411 2235897.966 1928460.342 1084408.731 1474639.008 2621232.136 1900852.564 922276.7063 1342138.531 2830773.867 1721123.466 1883961.206 1312848.55 2520205.732 3261647.239 2869170.565 2296435.887 1236839.352 1246154.572 1569083.352 1365079.136 2883033.286 1523057.876 1611059.641 1336553.31 2684548.282 1535476.76 1464019.671 1550213.464 2399691.848 1304987.271 1766564.35 1295341.235 769221.0405 1024931.495 1827585.69 996952.5843 2261540.217 2894627.309 2960333.481 2729433.788 1585192.161 1480243.714 1058236.651 1247231.526 1385335.594 1498434.24 1612752.064 1413718.428 2638928.647 1785587.348 1696742.159 1345849.824 1507133.823 1435161.812 2210594.235 1038300.055 3188836.232 2978318.955 2487473.158 2528946.14 2890937.969 1329847.138 878057.9208 1367796.639 2610409.404 1271645.575 1704014.853 1434807.322 2824769.178 1647884.33 1811838.419 1415424.968 1084858.266 1749871.059 2043968.271 1090880.231 1963544.549 2427845.517 2595167.957 1819002.132 (S)-AMPA 181321.6468 189540.8843 137860.5505 306514.6382 308262.7932 230002.4944 204453.2604 303466.1726 313772.5335 209544.4433 131507.2807 210496.6478 339193.6318 210354.3231 243558.7366 261542.2989 177465.5763 241787.5798 247270.5718 227934.8975 146927.6321 164613.0758 266641.4092 236844.9455 304103.8056 181455.6091 205332.5879 227933.3523 307937.2905 187212.808 233002.5187 268140.0821 306949.9753 183262.3255 262986.5448 214347.1568 165181.0994 173523.5082 204760.7541 240717.3443 142581.5629 213377.943 228317.3901 247369.3213 175324.6315 164990.8611 176279.0746 289821.7596 173192.9798 165306.9561 236972.8588 256382.0856 286280.7861 171355.1212 273764.6935 234732.272 192117.3383 177005.3884 257535.943 237114.7864 216835.7982 195227.146 223796.2712 286059.6053 208354.5397 161940.8628 197229.64 302681.5663 264724.8946 168073.5228 231338.2484 227251.6855 353460.4216 172963.4464 241948.7201 278660.3483 182532.7361 209392.7463 268614.646 270569.8943 147760.8515 184227.4655 251262.3883 205306.4748 N3-fumaramoyl-L-2,3-diaminopropanoate 72398.31269 42214.13785 37989.98385 103545.7032 91400.3777 60381.84193 38385.38866 94878.61084 98647.914 42841.00851 32446.25684 88217.11105 107398.6002 56514.51753 59414.12504 107069.325 50381.39726 49118.49997 59460.32275 70930.61797 58887.87173 45817.94866 57326.16492 103656.246 90599.07581 45919.34157 49741.22168 96361.38823 115401.5645 40926.17167 51024.01095 100329.6861 113329.4599 37653.13868 53699.56715 99028.44809 48756.64617 44483.46306 59982.70687 96051.83612 47824.34029 42400.59631 63944.64775 87323.74788 69593.45734 40747.03193 36361.72844 112507.6258 61061.85391 40046.13805 69861.11548 95742.39589 116941.4343 53395.73323 57700.1377 104706.9461 66555.78448 51348.6756 69766.30707 100940.3188 65700.52498 45967.06408 44538.36844 98924.18661 104726.2803 42784.64724 24901.82428 109757.0958 129406.899 34217.23918 56511.96867 91408.33825 117901.2335 47375.21835 58167.86929 89153.53715 52746.18888 58048.74772 63003.59323 89499.39107 48910.38972 35139.98608 47887.06216 62267.05271 GDP-mannose 1154566.615 597486.139 474598.2373 741981.7061 2288185.471 662876.4153 471791.4871 696629.2443 2464118.348 556820.2143 360374.2638 763431.6779 2312795.499 603358.8249 626086.1827 636650.796 805749.3892 300871.3996 467261.2204 301707.0607 752446.599 453575.5259 802517.3648 783454.21 2167039.24 569406.5733 788056.0292 748486.602 2724720.27 488640.0823 615764.1304 741812.8348 2316578.686 506967.9887 713741.2995 643566.2121 839096.8372 425502.617 696750.2255 691621.2601 720786.3972 233460.6028 453078.5204 431815.2382 1014799.542 529052.1479 443365.2064 743337.9787 1331037.875 497383.4181 778367.2414 688460.7973 2541992.071 652055.3835 734956.9162 705548.7729 1553860.549 468917.3679 719128.2388 625023.2759 1020691.715 290194.4151 482356.1158 353854.0863 1968290.58 479087.0078 452676.6221 796091.0336 2306048.333 410605.67 687917.7616 679962.3376 2800563.806 610170.1707 755252.3043 711140.935 1147305.673 588938.4258 643402.1551 694767.6116 675354.117 228845.1399 452785.5392 241106.8941 alpha-D-Glucosamine 1-phosphate 178893.2941 166422.5578 101261.9589 153713.0031 291591.7961 162410.6155 123598.3863 122392.3353 255190.9023 140696.9183 97772.46924 77429.84782 296310.582 136255.2692 178010.6644 77583.90769 195575.3785 218122.9452 226785.5634 91856.25673 152931.2162 105217.5334 152340.078 79852.99352 276888.5079 138564.0654 157902.7778 124832.9618 261867.6834 125012.1538 133074.1468 85805.44456 287995.6714 128628.5622 178273.0185 75841.03641 103714.1408 114981.8561 117565.3446 181464.5779 209576.9074 176760.4672 258794.7193 127111.2102 157202.5602 131678.1046 114681.4352 75270.34638 161068.2476 110790.7057 174200.9063 79212.8447 276100.8835 154326.8429 152342.3168 80727.63096 170393.9734 141899.1604 157482.3781 75672.68031 247599.2209 185434.0321 242911.7636 115121.5066 265793.0308 137017.4344 110380.1492 153986.4985 274920.9551 110389.5439 164650.8589 77053.65522 321028.9485 127533.6103 157730.1938 75771.16965 138954.377 140588.4285 168396.6878 77035.60017 170061.029 157953.7686 223288.4362 71514.1093 Aspartyl-L-proline 160381.3147 147495.2524 74002.16203 173694.7413 248757.4784 157241.8063 82766.89734 103713.7862 92312.69435 45403.88303 32944.91852 57978.62744 58480.74596 32064.08373 46813.1316 28384.40475 19551.25776 12904.46247 32179.96561 22972.27481 130614.7869 107291.4483 108266.694 141341.7526 259031.0748 160239.2875 116348.7508 137371.1467 364953.3099 154214.0446 154929.3519 196033.8486 464226.9736 327963.119 251633.6996 272208.4926 346786.7302 350063.2779 278764.9734 373990.139 30707.24264 11574.8976 15098.97851 22573.76911 114334.8487 129669.6057 68522.6278 168698.1582 87142.12891 64524.17558 82609.49417 68528.54235 82991.18148 65606.74105 56636.95045 46739.0597 55846.20977 48019.94741 44144.20375 32011.49993 28728.95616 13500.11636 15173.23891 27039.03028 214457.5897 144624.2152 63236.40635 155639.4642 130729.2247 55177.93055 89107.38503 86597.4966 113935.5966 61076.31687 57736.10557 48479.52597 52723.99621 69405.11908 53954.77059 42831.2814 14795.28587 11762.76546 15262.46311 15558.68698 Pyrazinemethanethiol 2023444.376 1796936.654 1275334.75 4316406.707 2555391.761 1830097.478 1388782.439 4205382.73 3076249.9 1700340.732 1219614.169 4183188.481 3259816.302 1541923.193 1727067.718 4229081.132 2090883.348 1643102.364 1773801.313 3625094.943 2316777.598 1614609.995 1577281.503 4288244.268 2537062.15 1584953.028 1592065.592 4186110.675 2995677.079 1353067.754 1684148.854 4454072.058 2950019.296 1392313.22 1765113.191 4044136.837 2093262.089 1337371.087 1435015.226 4005598.324 1796182.255 1369346.57 1490956.2 3838378.976 1895499.752 1809329.94 1460914.286 4334098.837 1954003.033 1530470.715 1739946.473 3968693.119 2961088.572 1628457.661 1653565.147 4335447.659 2209065.709 1343909.004 1747683.514 4270610.807 2109492.11 1511889.862 1620754.33 3863335.358 2208682.711 1695510.583 1455296.542 4431378.963 2679724.253 1510804.339 1705076.802 4004997.745 3263382.173 1302668.039 1644115.248 4104204.429 1974297.825 1576924.311 1690155.06 4334773.052 1998147.437 1428509.932 1650130.959 3161788.952 LysoPA(18:0) 327893.9641 288294.716 500741.2985 327560.365 261099.8391 327557.9384 451543.2534 334102.5723 247269.2893 374267.8582 479019.2813 358981.3675 274536.5244 509771.3866 754561.8625 295473.4108 1619547.123 719060.5652 843403.2036 371795.1371 627751.5567 346980.4926 610097.9 376101.0091 240257.1055 324499.5243 727420.5648 335549.4393 274354.4521 488148.5892 596799.1237 291526.6548 235488.9207 447267.6526 778463.2921 301440.6315 992186.4171 470514.8057 646189.8854 296760.818 1233164.68 625754.4494 734385.5044 350773.6144 682802.1337 299061.3146 485883.1221 396201.3193 542582.0641 431124.6662 683907.6672 297727.9385 315755.7117 630930.563 626401.4518 356091.3438 401856.9858 439594.7899 628766.3629 255759.09 640795.6891 580100.6493 812156.116 339349.2745 225731.9276 278342.0707 2317465.3 337008.6596 284006.1396 425851.9572 611340.5762 275498.625 323177.6984 716613.4137 672120.8276 287788.6489 403041.8614 387305.9748 662753.2985 297716.6141 1486232.006 803247.3285 786785.7567 557467.7841 Taurine 1057451.069 1001295.171 719742.4504 210824.2218 1347199.102 1243578.694 842658.5847 243998.8985 1161202.321 908600.8354 755170.4296 176850.1738 1159800.762 834121.5266 1007118.1 181872.6896 2263255.721 2880433.174 3184985.426 3066458.569 1121987.413 939221.3682 990731.8891 195599.4207 1197953.824 991831.6422 988803.9453 198832.6391 1331049.322 771853.7122 1213419.44 225558.973 1256322.912 835487.0617 1108157.983 200507.0573 749207.7272 683493.613 973893.9488 179105.4583 2598122.307 2895115.454 3388531.772 3610374.644 946785.5346 1074448.961 893727.6669 206346.0518 875807.2253 810413.4225 1182256.542 188367.6045 1202029.192 882793.6394 1021535.67 200438.252 900310.9984 658200.7621 945561.423 180943.1115 2181206.305 2760151.209 3132291.442 3284899.509 1618530.139 997484.7048 765026.2072 244457.6085 1137961.904 838325.2733 1085333.499 213852.597 1397811.908 840794.5147 1025225.865 217220.3141 965587.0546 767799.6658 1017556.189 224410.7208 2272068.64 2368173.587 3350239.636 2867267.258 FA methyl (8:1) 109412.1477 84499.94112 116456.8882 47541.12855 42229.50686 66801.83216 95989.36014 50045.85838 55466.22196 87176.10224 113994.7102 44298.54222 44318.68226 68692.84593 67490.77434 50554.37225 64253.96166 64898.04352 67492.84795 38055.17003 100857.2387 87775.9485 79085.8545 76704.47918 48232.34714 74370.14973 55290.123 36006.0486 49687.40216 70300.02717 74382.13293 39930.97526 53638.21262 61236.41723 59223.0029 44306.35786 94894.87808 89140.24494 59557.70368 45614.85998 61665.865 73569.21138 68704.77704 34171.09099 117363.726 74116.06549 88033.26107 39832.25833 62391.11055 77534.93252 82438.89948 40751.18727 57937.94847 84360.15177 75290.53146 53349.48601 73718.42829 74654.24787 59927.58855 40257.22342 42064.12475 64018.28169 83363.19696 39493.88904 71802.02057 74406.95927 196652.9019 55946.9316 58575.62541 83590.69155 65173.30482 39461.33423 46818.31913 88066.6976 55487.50958 45333.80761 82877.0661 65464.27651 73218.23008 58965.39521 62887.6439 78178.14551 71329.80817 40481.08105 3-Phospho-D-glycerate 2238493.567 2766823.727 2209686.949 2758140.106 7850390.024 5743747.338 2819447.372 3859504.375 9991637.625 4806164.349 2708268.946 3309764.647 12041333.84 5299698.316 6012961.79 3718782.045 6001180.272 4592551.376 4211915.485 5365336.586 1727153.839 2338383.802 3504069.528 2512006.277 8692003.711 4735834.765 4244722.616 3856292.99 10695330.18 4769811.257 4295891.05 3829615.133 11339849.83 4694147.158 6361477.005 4304302.971 3888452.668 3969964.559 7661454.486 4307507.696 5395176.201 3878299.479 4376347.371 6754090.48 2471973.721 2445210.496 2256732.483 2657847.604 5922289.824 4428344.942 5151563.188 3518022.017 11674090.55 5734023.864 5997150.741 4039068.397 6675375.318 4776696.987 7358003.821 3442356.02 8098067.072 3964392.74 4234383.558 6254919.797 4743313.716 2349809.901 2591648.269 2751533.946 10584703.22 3717183.448 5081222.141 3352838.86 13013782.08 5695181.89 5937265.411 4001245.581 5736867.023 5367207.501 7428053.993 4299948.912 5302548.687 3161176.205 4532728.888 4486786.643 Cys-Leu-Cys-Tyr 134881.5173 227508.2075 155543.2154 245621.0858 158341.7084 226414.8813 145135.0966 166479.5271 171187.4168 238271.7571 153257.7192 146006.511 190316.5739 224091.606 186775.4429 218734.5077 143378.1984 159819.4764 190305.1062 154109.6465 157860.8891 254357.2149 224391.212 166739.2511 191188.5038 205450.9506 152720.8846 186980.7015 137142.7477 189311.0335 196240.288 174963.8658 163084.6599 205494.6977 170503.25 170344.0056 188272.5513 166657.9747 155235.99 137770.6349 134233.6769 196209.499 153334.914 145982.6814 147325.3154 214809.5646 170594.0513 240673.307 194768.3125 135378.1463 199067.9463 123019.0681 163508.4366 238564.3131 187355.0017 194785.1476 163314.934 189837.7266 157852.6635 161726.0511 139116.884 178843.7122 191023.1473 134018.8299 199339.1472 219325.0251 204924.5172 271085.2005 184537.6421 200731.061 219148.4174 142714.7482 246324.6902 155739.687 206696.7485 158026.5934 127786.4868 197379.283 168819.0048 162826.4732 143020.7947 144478.3248 193044.0351 106537.2468 L-Glutamate 41662242.06 73996867.13 40376150.76 53989788.8 69493698.48 87213719.88 46584883.06 49493844.47 65134166.02 73455585.42 40530513.28 49387619.58 84871982.08 75319593.74 69738168.26 58021047.14 55568494.15 44980795.48 45149451.86 30894200.32 39746180.48 64708437.94 58055115.46 54017753.23 69097792.96 72297388.86 58374332.48 47706727.91 67361816.42 60945561.62 66175699.45 50485988.65 78471760.84 64099343.76 78161961.5 55516740.7 45231860.19 63665374.6 85507823.39 59248123.09 51142877.58 39870684.05 45073240.18 38269455.96 41659030.01 70800864.89 45522740.86 51777535.89 43314724.24 67068283.74 71807997.76 51442914.51 76742791.97 85109051.76 76300687.14 60398050.19 66579024.58 75919014.11 94702725.17 61371342.25 61110413.56 38417712.24 46352226.86 33993438.47 62164450.56 70611170.94 43689809.1 53100668.74 67558018.84 61445026.57 69598565.61 51055715.9 89207377.19 84369516.71 77058200.98 56958217.29 57202877.22 86311707.71 90769255.16 62967469.38 48801022.21 32365603.07 47267730.24 27737816.29 UTP 242581.4169 218691.6033 194364.9361 264801.8809 644599.6354 330861.1708 191721.2609 300866.628 891238.5231 270569.8943 183617.1553 319850.4239 1430641.677 353693.3164 375573.4413 301987.5894 35306.9689 45036.28699 75716.68063 51681.69916 201411.588 184594.799 319109.0132 246080.7641 752191.0277 294004.4003 349055.7206 292547.9901 814457.0749 320500.0965 318383.5582 340115.9967 830733.0747 293667.5125 406446.6656 343358.1089 316329.613 279036.958 428179.829 411124.3849 24594.57616 43193.5791 73335.38086 48874.48268 300195.4585 176515.6766 155458.5876 289133.5846 469307.9889 267923.6616 335170.7616 290727.2881 1340632.823 516112.5753 395028.0086 364440.3153 728042.6673 368773.745 535886.1765 381270.7058 41771.67405 41051.52235 71018.30207 56528.43022 311042.5447 176318.3365 246957.6851 265137.2395 861864.5223 230202.5386 344885.6549 301521.463 1658548.673 440715.5271 414372.8973 344078.6911 655976.8961 457432.4728 599046.0458 480357.3626 29685.57153 30680.16942 79694.14547 41436.88178 L-Ala-L-Glu 91600.32734 33160.59683 60262.97186 131574.1008 61408.86472 30052.61663 39095.13693 92654.60505 69368.17402 21492.52841 28441.43315 60979.36967 32138.28361 24655.57596 28502.73493 45068.22489 0 0 0 24479.71637 65248.16429 30853.86689 80178.61665 103593.4227 73186.24832 34108.2849 63028.27517 58405.58765 55194.91083 17780.10631 57560.7706 82825.63872 69007.60721 26987.94839 37029.72621 53190.10084 38046.71788 34796.30763 38626.83288 45379.81537 13130.76764 0 0 18844.62976 70108.43183 68131.28798 53960.47351 81167.26725 44655.66457 38241.18757 47193.95913 46940.21197 61402.79702 22426.46897 44882.58943 27981.97217 30338.9165 13915.32794 30196.28498 30322.52798 33936.42803 0 0 19753.24213 93838.99165 51953.9287 61082.39948 98142.02656 76683.34892 20652.5145 48367.10179 70604.71063 61826.46004 19595.49487 48174.92958 32480.42193 30774.29948 31964.76203 39367.93241 48534.38183 16140.40672 0 12249.08354 13314.77619 Succinate semialdehyde 205569.3867 279103.5754 109366.861 266422.3488 177140.95 206805.8528 113486.7184 206121.9245 164117.096 154691.9635 107247.9555 167177.7423 170596.8717 141560.1858 134344.1946 144896.0868 198286.6143 202352.0476 213782.8767 272308.9028 212077.7367 237375.119 132494.3796 245891.783 193925.0067 198027.4818 148587.5281 194643.7105 192438.411 180379.4532 148603.9361 170952.4947 128210.8087 134526.3176 150321.8119 125055.9761 95727.3291 91617.58302 141314.0399 91779.42532 188947.9976 161896.6125 210199.0086 315809.1227 174911.5806 240537.3622 104816.7988 273827.4011 135919.4102 154259.1113 175662.9996 178947.0663 167542.2027 132978.14 150098.7936 157395.6826 101637.9738 106770.163 146007.2342 103196.0001 214853.2948 192665.5458 191298.4044 293129.4683 236960.6051 214662.0587 97869.96854 270444.7694 209990.0567 149210.0596 152373.7523 197461.8319 164630.1648 129843.0232 191219.1816 161100.8623 91915.95621 129548.983 139384.4418 104131.0004 172749.0642 172349.5482 199350.2109 225077.5352 Sucrose 66585.99363 112393.352 79169.91112 53405.5016 83921.39276 105354.3318 79693.9198 59710.81236 93569.30774 77671.27189 70354.83684 63010.98977 92047.07546 84324.30651 99500.62518 86182.36221 67565.6452 70019.62375 95179.91053 38760.5372 68553.37131 80286.08733 82033.59899 76114.50403 69399.89407 85562.39126 89237.99417 59145.59195 133286.1547 87972.52518 95154.66162 48915.64616 81722.54142 70596.1476 121473.0391 91407.28013 83420.89203 70892.09719 99783.99141 49346.15495 64933.08615 73146.65989 111135.119 39297.56496 51031.33538 94256.0477 90322.04533 56105.29431 60435.48706 62579.86476 120369.6495 44799.20719 104516.3774 122590.1548 107234.295 73166.9419 64054.31833 82237.04022 106345.3161 55099.44193 68082.37246 63134.40113 83291.81594 38106.88276 99096.42628 97832.16195 68738.196 63238.18554 88567.35323 65071.80993 101998.6786 55028.84843 94006.00436 85606.2319 87780.39494 66045.87687 64277.97027 80170.69525 101313.2919 75669.05524 60574.69566 68188.17894 102263.9307 39476.01049 D-Mannitol 1-phosphate 10170184.31 13182076.63 9729990.429 16723414.5 18395390.77 15234284.01 10594069.98 15853497.06 18192321.34 14026694.7 9319850.647 16109591.07 22043409.53 14696506.1 17082329.09 16938402.47 3598482.486 3147469.163 4255670.459 1669025.486 8416195.626 10360639.7 14428403.69 16101445.67 16027838.57 14611283.31 14482424.16 16025755.2 20452473.51 12388661.23 14457109.89 16519312.46 21046761.29 13107385.6 17514553.25 17366301.58 8258371.312 10887942.65 18263806.94 15980172 3208718.938 3147198.82 3989752.768 1941525.296 9633650.691 12222950.62 10456864.48 15366867.93 10508305.88 12665620.12 16921787.02 16217596.78 21530085.03 15701460.28 18098047.17 17229237.77 14534244.58 12738089.62 18071712.69 18577770.77 4605170.542 3004750.878 4108772.495 1809326.294 16063734.13 11787789.58 9805426.638 16236550.63 18132056.83 10752879.65 17167082.4 16832576.64 21934519.8 13776452.57 16255150.72 16869488.65 11357672.72 16312285.36 18502963.55 19060935.76 3311053.978 2542454.541 3729229.749 1290218.37 [FA oxo(6:0)] 2-oxo-hexanoic acid 126995.4353 253489.1701 190246.548 199162.3661 220430.2024 234062.8401 206191.5314 116080.8809 270569.8943 226120.21 187725.261 109571.5487 496733.4249 236014.2969 306211.453 141985.9248 118370.2753 220930.2433 318436.3677 154471.6181 112046.6246 218661.9228 270569.8943 147077.7303 244359.2582 196638.7576 221149.5944 131426.6945 293570.6298 202656.2693 338761.2795 126123.0801 537056.0818 252198.1228 395958.9827 155767.7435 455533.7431 293373.1733 389640.7317 197267.7911 153946.3631 202110.1887 258778.5434 163447.0241 108883.8284 222128.9572 217940.1465 173538.4922 117498.0109 209527.0376 334753.3064 115775.9847 644427.5008 303101.6361 310854.6179 172322.2148 488176.5008 291030.7692 361334.8541 168977.1006 171944.9624 200281.4523 279893.2075 179288.9645 214201.9522 220799.9794 221907.9073 181409.8506 275141.4793 175898.5629 280556.6911 127714.3563 507299.4292 300710.8366 398658.9718 142948.4662 433448.0922 311097.997 365278.6115 177369.6826 122982.6273 157682.3696 348451.3871 131529.1276 3-beta-D-Galactosyl-sn-glycerol 369502.2586 386007.3437 271083.5112 537599.2572 539478.6871 407906.5173 294924.1237 573912.6645 515146.9792 393252.4301 244131.5912 568671.212 645367.8505 366142.1537 405025.655 665592.6535 415173.643 373659.6724 507374.1865 520689.2702 391448.5708 308083.2315 347316.3024 552929.6825 491005.8225 328584.6944 321820.1881 551535.9761 564149.9352 303946.5014 380233.4193 586340.4672 551093.2283 331613.0767 381365.101 654076.404 403278.393 308788.9625 418236.9761 661425.3935 431273.5126 382845.5908 379866.7526 541123.8904 379043.1195 333389.7346 308634.0849 492966.6457 408298.7567 323684.3198 392971.4323 530588.7051 645471.052 372910.9921 382907.2823 610854.3097 432054.2179 371625.2725 419993.2278 670705.1824 428035.8477 357872.1804 389173.058 515026.5254 523306.6025 354939.0841 261038.6797 540760.8079 534362.4145 327231.5695 372977.5133 607802.7207 666209.2856 373780.6795 418689.3538 633196.6118 435543.4326 363398.9258 447168.217 633010.1797 420742.9152 313087.7379 399206.6774 427916.1894 [SP] Sphing-4-enine-1-phosphate 82542.20038 99313.81899 83322.97677 69896.25128 44353.59239 55667.07386 60482.44007 53987.45599 35952.63027 55091.85128 71669.65147 43400.47565 49047.90247 50874.10114 58235.43608 37869.49523 116365.0046 107133.6681 85971.97479 93963.23881 84843.73192 121293.5451 85180.24761 75833.0209 33234.14416 80362.16941 66348.45425 61096.33902 40133.81239 61990.1014 71529.87908 49760.32507 37449.64145 45496.67684 52433.27816 27970.46237 64687.95822 57876.44094 56642.15541 40016.1635 117510.1828 85925.12119 95523.77964 87608.93582 67536.21048 119343.6088 81042.0879 81562.09084 47659.64909 64685.18542 63364.71513 47007.12115 43104.33663 62403.31697 64327.8372 37154.34275 54556.79531 57557.80762 61248.83139 48400.61319 108942.5746 76943.97753 116576.6643 91458.41782 53256.70255 100790.964 131769.4427 58128.07587 48458.91778 44028.99184 59637.31055 39908.24612 42375.53757 63296.13783 82412.55702 41418.5188 46264.86714 43264.35268 79038.0858 48407.89421 154205.6018 116015.4668 104843.421 76137.1581 5-Oxoproline 4516765.158 3752466.428 3056685.429 7241576.045 5174353.997 3802831.308 3325838.838 5542225.97 6002476.774 3749210.684 3400163.279 5220844.68 8105001.902 4602169.331 5670414.424 7456726.477 8374889.081 6332209.171 6961991.706 10049920.58 4539684.4 3480302.162 4502853.363 6898105.004 5072980.982 3226915.203 3883285.138 5700692.756 6346184.402 3258700.978 4455489.798 6290835.385 7013839.096 4169483.882 5878246.124 7114908.173 5735820.869 4424827.064 6926760.475 8632883.279 6726041.338 5913289.534 6526433.75 10326678.59 4556221.208 3559107.3 3502235.067 6787647.358 4220839.186 3464726.924 4892535.345 5342575.549 7387096.569 4869956.446 6064305.542 7288452.867 6891516.942 4872913.722 6957578.544 8191026.014 8323013.38 5836308.422 6893560.901 9998070.139 5880932.514 3709600.047 3684845.31 7056283.387 5745401.301 3122150.877 4873394.736 5973499.23 8281075.696 4560364.168 5948937.488 7094380.525 6189902.204 5739660.445 7122167.276 8416847.407 7392273.279 5630532.954 7429666.598 8252000.347 Mesaconate 92235.5363 67697.3888 203929.6573 71745.15798 106743.6027 83528.74372 57935.67395 72914.83375 126942.6514 66682.86048 48312.1088 63899.48122 137127.6384 66740.57666 80377.92363 67699.30289 129328.4969 90498.5302 116737.7739 126627.1499 94381.80407 58849.76561 70940.20955 82434.93013 127878.3883 66575.20946 73219.76013 62082.33837 138117.0107 56769.79939 71289.0886 59956.20438 117002.5223 58049.41324 74874.29986 60737.79544 65588.0685 57351.0107 68941.14958 61442.38148 101618.4881 79919.53898 114058.1505 164727.0268 93375.86804 76163.55836 56646.61129 63901.71635 83402.20919 65148.38505 89584.3131 56376.87038 136268.6627 71802.03629 81167.03323 67420.57234 93345.34276 59385.55099 79570.67277 59106.7468 120260.5841 88186.81964 112872.0667 136258.2191 129593.5046 76901.18819 48317.28698 72332.96349 118973.6965 54611.03417 73626.3355 61505.37628 127445.9637 59878.14396 82890.58063 57487.20281 82785.58166 74519.12837 82841.76216 56917.3559 102917.6272 74717.58756 105542.9922 107339.2706 D-Ribitol 5-phosphate 221232.0109 152139.8921 171026.2281 669242.3373 366478.2823 187853.3714 185890.8262 728136.8614 340640.1709 155165.1482 150306.0042 594561.5655 233330.1727 121090.4076 193818.1889 446403.438 30161.86114 34191.85979 37740.86661 42470.21995 189684.6335 121256.4056 248378.2997 719867.7182 363081.4933 160516.1102 248075.4898 753962.7439 327562.1073 138599.1998 220774.0653 643412.4296 240114.0627 120051.0468 180967.5285 424307.0997 73427.88816 77940.38428 147454.2592 296167.1102 27208.47455 33212.74825 33829.3607 58137.64032 233843.6351 134471.2669 163387.9425 687871.9663 216078.9086 151205.111 277975.916 632710.3017 238826.535 154194.5988 199660.001 441539.7485 119159.4013 100257.1313 137668.6837 268903.4116 38095.70283 43877.28623 39620.66992 55630.14936 368015.3697 148143.7499 166234.7356 746632.9942 332142.1771 119944.7055 256260.6184 612999.0231 255007.6345 115418.879 209476.599 427241.4792 83862.55281 114956.7908 147599.7004 305335.5653 30717.07695 31644.68174 32466.22256 30580.19213 D-glycero-L-galacto-Octulose 112163.2857 135327.7076 105610.9585 140683.6922 187155.507 153129.6679 115645.0108 110877.9704 139937.3181 126159.2903 96839.52467 99707.24852 175475.8273 127342.0132 170739.9018 108427.2925 105345.7716 168473.9612 168472.3772 219045.6962 116606.1771 135283.9799 133424.0219 125141.15 106473.4117 153984.0838 174933.392 123693.3701 148395.5807 109845.2548 173409.2279 101551.5961 136265.0929 138723.9975 197095.0772 87203.91203 72460.14744 94080.09695 172935.7981 96424.86016 81410.09628 146476.0845 88310.2842 199834.1866 96250.98517 135395.2312 131460.8821 116255.8156 105369.4142 119588.4505 170571.024 127153.3564 133567.1603 149820.9949 163469.2038 118063.1349 132552.8954 108886.6032 144798.4033 116305.4956 109443.9472 141236.9487 218170.3267 226436.8728 156093.4397 130059.0722 120186.2236 114214.4964 156413.8268 117601.1405 126519.7192 104316.0067 166967.4309 130667.4156 187745.5493 98929.94782 104401.242 142025.7526 207314.1696 115987.8093 74046.85535 97051.0752 144840.7794 169056.8436 IMP 8556217.864 11963565.34 11848083.58 10632788.23 21089665.18 11655760.92 11464815.46 10440107.82 18852146.46 7238474.879 8958616.125 8395139.011 14857452.24 7713870.627 11623028.04 8994770.854 11253117.99 6835278.44 15020191.66 11985460.85 6747883.332 9456884.744 16562782.94 10206058.2 21726625.62 10246874.01 15244657.01 10004517.7 19045193.22 6658224.866 14973435.25 8173010.581 15694352.17 7290134.218 12896287.96 9791638.127 7452533.941 6017843.201 9962076.511 12055217.47 9707675.837 6469031.236 17728250.31 14047320.14 8036859.203 11058858.71 11714833.14 10472960.95 13413040.84 6221769.125 18061596.51 8232940.604 15980107.55 7956210.053 12575168.93 10050388.7 10095642.94 6615126.442 9209622.815 10351792.67 14546527.89 6385455.495 18749215.36 13711639.05 12432890.11 10631330 12482802.6 10518017.08 18316138.62 6567194.516 16490547.14 8821708.835 17001876.59 7753355.09 12652657.86 8834437.478 8456077.502 7240951.321 10386097.47 11095171.56 10371374.74 5866279.628 19240953.39 9916269.324 3-(ADP)-2-phosphoglycerate 114094.2936 243172.3085 162977.1536 197423.3116 932663.3837 458992.6822 150957.6401 351039.9857 964174.4143 364589.8715 163714.6458 221032.3582 1177165.894 376578.696 379888.7106 184631.3359 787290.479 550629.3686 368248.5781 334089.6264 115728.7754 217183.3342 295196.2553 155100.6165 1165772.706 371376.0969 364571.7246 311004.2989 1130548.587 382540.4229 350708.107 309357.2457 1117448.307 349480.1081 395277.7613 294644.2762 364411.2359 252618.3729 409258.1099 309629.7042 727640.1742 504351.9834 402221.909 405097.3776 210696.9586 164005.692 134986.5236 237281.3095 510448.3268 307742.6128 333579.7958 257537.6711 1125315.944 477298.0748 306798.0373 244849.0053 546095.4654 275142.258 427362.1479 200812.7623 1027883.248 499408.7882 419771.1698 351961.706 267774.557 212196.8432 357340.5601 192629.106 992685.0113 267532.8724 317366.3144 224978.1688 1334982.234 409927.5755 350368.9553 210659.3388 489278.0226 371828.5737 466500.4591 276828.5312 641222.8024 446694.1346 398384.5439 308796.8308 Mannitol 116344027 119635653.4 97299904.29 170331073.6 115203457.4 112467868.5 97233245.02 137268084.3 93412385.72 80561213.66 67767596.17 103615679.7 59818239.08 55286856.27 79071811.99 67192115.88 43120354.78 79668688.21 88432489.37 87843750.3 107008947.4 117970256.9 129770258.1 166208471.5 112194870 94783584.61 103536628.9 137098946.2 98509620.12 66932028.79 96380732.62 106725895.1 50167495.66 43973164.58 71278132.11 62352412.6 20819552.76 30918432.57 58195130.29 35791847.23 42934761.42 71396341.2 86968775.12 91117752.29 100675989.2 121076397.6 107713566.5 158562586.3 64758502.91 70468450.21 101706077.4 105501570.4 53394610.87 50137617.49 75026176.77 69108387.06 28894426.36 38553951.24 68029572.3 39835916.43 46788831.97 71237634.08 93746076.79 88554335.52 147434272.1 124811889.7 95667380.58 171556006.7 91856815.81 69210995.2 100634621 112527169.8 65488709.84 51864292.02 77761126.41 69278630.34 26197259.71 42842156.06 62578419.18 43432380.99 41763303.64 66920184.12 91372564.04 77665885.62 HEPES 150693215.9 190530855.5 37199011.03 324145194.7 199747930.1 194262682 140770518.9 295803054.9 228110972.2 181793345.8 148106153.7 276812691.7 292293668.2 203826542.9 231580028.4 304142585.8 97195072.2 79506595.26 91543179.95 86354873.17 128410736.9 196227754 217706683 341766169.5 193224498.4 166037310.4 184206272.2 285314023.2 273012375.8 188740006.6 194482549.8 361011940.9 282135463.8 202953067.3 256183017.6 322385066.6 199904555.2 216096571.8 260674335.4 335490160.7 64559990.52 71859953.81 82202217.26 86561864.67 137127640.5 169506956.7 191840220.6 324955423.7 153780086.1 181908906.5 200781825.2 308657487 269843732.3 228384876.8 255751746.4 335970136.5 226281652.2 206357051.8 260649702.3 345675933.8 65384393.4 74688326.79 94614096.02 82841152.58 184842968 190684831.5 172917511.4 305328845.2 226420608.1 171534032.5 212262940.1 326421790.2 313800068 223304590.6 249538530 326964808.1 204769719.9 248269398.1 268816640.3 321475483.7 59635404.76 66920184.12 100158387.5 74198658.58 D-Sedoheptulose 7-phosphate 802688.5367 2334264.406 861388.7717 584392.1065 1412781.109 2514138.94 974706.8643 481109.7728 1450630.842 1892205.268 860297.803 489101.6969 2257671.924 1666147.051 1640125.267 614406.2167 5035483.496 1545536.688 1678511.64 438530.6576 632487.4033 1649425.091 1413623.279 612914.7094 1277993.844 1953674.929 1326249.907 333411.6974 1517365.843 1504633.15 1411302.637 561670.8345 2162988.812 1522016.825 1499460.66 574223.4012 1099512.593 1221949.648 1774707.61 688650.7354 4454004.006 1380566.092 1894714.697 549214.5773 670573.6895 2044349.605 961438.9111 511450.2288 893903.9377 1704395.287 1518510.643 414076.9069 2005143.228 1798405.673 1633286.519 527861.6097 1780574.965 1516645.673 2027706.331 534144.761 5793123.614 1403240.871 1670854.446 499386.9102 1069546.524 2171219.255 878255.5864 588982.5336 1691177.17 1450677.181 1476087.373 539681.004 2347970.44 1749301.982 1519896.132 554302.3137 1464017.486 1693645.323 1832767.634 675594.4202 4064065.789 1215680.879 1710926.551 358200.1353 hydrogen iodide 180365.9983 22723.27745 23675.9765 53200.40266 184401.6567 24373.94581 16417.00037 40150.20097 196392.3536 19345.17741 22052.42492 52690.90707 188534.9239 17975.25567 16757.69295 55222.25907 125289.1379 26108.02919 33490.92379 40519.58736 152316.2014 29329.90799 28396.95538 61336.78548 175314.1958 21764.71917 17051.47143 49025.55261 176223.8888 25832.98943 23046.31661 42265.47733 164675.7825 19537.06693 22242.01559 56763.724 132493.1349 19228.2314 21301.90463 55350.07597 142368.7635 33442.62887 42863.28795 40441.08682 148483.1028 24166.55168 20886.56716 47231.73098 129962.047 18008.14166 21384.49735 37045.15511 183857.0582 24157.06221 22418.01001 42587.09756 158715.4739 16817.19909 23952.49263 54929.95803 131184.8203 29220.87629 32707.83259 45375.68898 201398.0523 34661.24996 29449.40815 61441.71396 153640.764 22917.46978 21638.33966 66318.23047 212925.4482 22434.99943 22430.8209 48926.51114 130694.196 21196.27644 23053.1509 46819.15692 125258.7881 13644.38717 31185.90157 33041.42763 Phytuberin 938818.3198 651344.8916 361661.3862 263624.9997 287461.5431 573573.6048 337309.9501 335472.474 281858.8247 426991.4179 466820.1658 352708.79 338634.778 463120.2585 220700.4312 351656.9981 598724.0099 490966.8517 264411.0602 449759.2106 756743.9637 889778.2523 268318.6044 320027.3999 293612.0827 522111.6756 219993.9581 372406.7078 331317.2588 505432.0188 233908.2663 440070.1628 281204.3771 891840.1519 273880.3954 322874.1001 767211.7464 815643.5755 243915.1652 342029.2401 792723.0379 740477.7549 296435.8923 326668.4842 763027.9329 536836.2793 374878.7882 290811.5218 779857.9023 406314.0233 214095.0877 335710.493 344411.5671 440495.4912 205609.0835 339697.395 673124.6543 532840.2862 265159.2409 309997.4579 490300.3296 727435.02 209468.7051 337658.4848 296325.4892 555424.6465 598614.7171 262475.0898 380058.6397 803015.1848 217338.0777 361265.0204 408540.4016 513738.3793 278373.3551 417490.6719 620449.0388 384230.7001 292336.4053 364950.5681 921193.6071 942172.4776 229207.0611 583432.5038 D-erythro-L-galacto-Nonulose 72203.95583 85187.85478 67663.44764 65795.56294 99452.55648 91787.46379 69121.06854 68462.41173 98005.04845 77127.96817 65092.04496 67681.47717 115833.7017 79330.59038 80427.47422 70509.09054 51691.67285 80567.44933 96033.31596 48204.6302 70086.99106 81004.5032 82173.77435 66431.20498 93874.56355 83330.18269 75416.09737 60372.08257 92276.08675 69177.81791 88222.08614 66886.96008 85799.74189 64944.98154 84176.87761 73901.54441 48572.34116 51418.90981 76389.16378 68763.08605 53592.77705 68368.34723 73271.27797 46672.25974 53333.56635 88740.59438 73865.70227 63448.18116 55264.86528 55981.58272 91041.15955 66109.04285 87379.32679 84924.93179 96732.90709 77037.47821 78162.80256 77020.28831 90737.84276 61339.3395 59198.6687 60417.88522 74162.03716 50908.29851 87465.657 80472.33046 60804.92171 70288.68348 96656.45381 62393.59083 88494.49296 67141.57945 90036.34167 69751.50044 87049.88792 59082.81477 59260.03699 73455.15368 90401.19377 67451.01962 46719.32829 65901.13059 83543.57852 43702.55754 2(alpha-D-Mannosyl)-D-glycerate 325650.2557 222524.929 417037.8561 210230.2083 758048.3885 756004.2197 528623.82 344596.3911 582179.3207 548727.7573 423877.2381 319546.2182 754663.6512 661699.4161 779325.6263 370186.2418 415039.95 683589.9661 828966.2664 265442.9459 404236.8407 448259.1262 668075.0573 366893.0923 892473.9057 598942.0609 853886.8252 361028.19 768148.6407 524382.877 826829.1143 372630.1277 774511.8569 558295.5065 965169.5189 379957.7916 285463.7337 464015.7013 954553.6149 370372.6393 370234.5523 721706.8532 976275.5113 385644.2595 437878.3899 513224.0035 483571.6538 336365.2926 420431.3914 518187.0179 844477.1233 325508.1205 602051.5688 668200.3431 862818.6636 515888.9047 450151.2562 499270.2186 954848.8063 372580.0812 472167.4546 672544.5634 791691.0978 370163.6168 762065.1286 500450.4263 413357.6804 362255.0598 618463.2315 481816.5888 790944.4105 353720.1783 793680.921 670597.0232 750269.3867 384238.7359 454808.8849 656688.747 949666.459 419830.179 334059.7232 523917.1736 902250.7513 238022.774 (S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate 198315.9426 234304.7657 181822.9494 371894.6723 346996.9073 240611.122 208762.3848 320214.2081 296281.1586 200120.128 143736.5029 244889.3957 376437.5259 226427.6287 270569.8943 298264.504 204726.3324 266194.5241 333611.1496 275472.3479 213622.2644 186763.196 307318.2488 307011.9132 317832.679 236136.9582 228611.4372 320196.2679 379308.8882 247013.5097 258554.5461 279567.4093 406410.0405 213477.5052 316853.6261 272920.5513 169046.2039 187227.6542 289325.4231 270569.8943 216309.9304 236907.2003 327935.7318 383186.7616 197430.5917 247680.3832 216002.7273 296995.6767 199301.5946 171293.6 289225.7809 264958.8838 359438.3105 249113.1742 247272.1634 290437.8077 233598.192 206157.9793 295513.1748 279685.9417 270569.8943 266735.935 295188.3573 332672.9292 303302.8986 205739.5073 182807.095 284366.5266 320919.1127 188939.7498 272014.5349 316659.7385 436872.7958 246775.2369 281691.8771 312308.6994 160471.3895 259462.6956 271942.4793 301607.8365 209736.6594 208007.4376 301009.4779 226110.7905 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid 991248.6171 1580269.839 1283865.535 3521257.124 1525837.392 1813416.704 1370224.222 3019845.412 3451417.747 1647469.437 1167998.813 3069931.786 1807281.004 1626537.343 1930142.711 3452150.066 897662.6536 1625383.881 1815632.214 2270158.322 958185.5046 1298011.99 1817434.385 3400048.791 1571576.543 1639430.936 1836404.731 3080182.34 1657865.072 1403860.018 1821495.808 3182268.52 1660018.164 1454579.538 1988402.396 3405086.498 802833.7363 1324480.719 1975475.206 3152935.129 914344.0856 1568984.919 1889681.588 2593552.542 921378.6251 1525959.423 1360581.458 3233452.549 2014562.271 1468358.492 2038589.601 2887747.134 1755453.33 1758856.504 1997599.996 3374755.412 1152226.282 1435214.357 2196419.453 3037583.827 1194030.466 1572798.518 1814047.998 2412396.137 3112506.924 1414333.664 1163096.003 3569485.159 1653757.253 1201095.057 2052680.305 3104086.392 1867681.201 1561937.612 1944661.013 3350806.906 972310.0507 1715542.437 2006257.137 3350650.775 919543.4473 1435327.621 1950961.069 1928973.039 Nicotinurate 197978.7181 260645.8296 214487.0279 321207.9515 330693.2083 306466.4428 193276.5846 315567.1819 357679.4183 271913.6481 190841.7779 296488.7042 379440.5763 271960.9776 315981.263 318903.4444 192539.2773 298773.1063 319639.3162 300017.9762 182002.251 228651.1053 351576.2565 340830.7274 347417.5367 261726.5692 281927.6997 345602.1848 336301.2885 203771.8594 313399.7815 306600.8465 363070.5802 233441.5069 306268.7854 302900.6882 174639.7746 178978.2974 273461.9058 290314.635 202600.0333 272496.0356 296295.2737 341866.3796 212939.7794 244362.7278 242266.312 335923.0058 198897.0676 223957.995 327006.9309 316777.3751 357888.4136 242279.108 292593.4865 330694.191 263781.7711 237756.2835 336461.3788 329439.4473 296950.6833 242304.5034 295472.6879 385162.5296 252517.1728 241934.865 223609.9202 371376.9505 401461.5999 232638.4179 258546.0127 341005.6834 481293.8716 223761.6391 286916.3155 270937.6112 184007.174 263868.161 282961.4523 387504.4085 208736.1429 241942.8506 287501.5763 220488.2918 alpha-D-Mannoheptulopyranose 56765.68344 69616.08973 54057.39846 68092.33068 72776.7212 61275.32645 54776.80663 83108.56741 93910.27386 61934.77098 50748.06558 85607.71654 81406.76811 62142.01366 91108.49771 71657.7552 50867.62936 79613.65259 110203.3934 63141.72596 34498.97604 52543.33921 95744.96461 76632.20933 77143.94184 73084.92459 76149.12616 72604.26274 78167.17833 55656.76211 89221.26984 64086.46389 66333.22412 57546.89299 85651.97224 72258.57277 34913.44644 45222.15231 86543.12048 51758.77178 47364.77026 71195.09832 93758.74207 69517.41115 43519.99665 65155.21841 62038.02049 75780.87264 40047.57154 55149.82031 95450.40699 68116.14755 74783.16549 72659.98504 84479.40601 63486.33123 46118.74367 56085.88156 91111.40669 60240.65658 60234.9858 70466.48213 101046.9323 73717.60671 52671.47393 65397.33121 42859.46611 65439.33829 72179.14063 51867.93644 98350.43573 85941.97207 97479.91017 63353.92662 83269.63867 61300.94447 42100.10647 64643.17953 78485.64251 63518.657 37609.80535 70886.09431 87014.50045 53685.33532 Orthophosphate 34016777.42 56051519.12 37331391.85 68648584.22 65127115.82 55313742.62 39981729.86 61577302.6 68433291.66 47801499.06 37279402.59 48555668.87 80405035.65 48988353.65 65599665.85 61764340.51 41526992.94 57380906.67 62480442.24 65659481.16 22624748.89 58517919.51 58055115.46 64821303.87 70344402.63 48482894.63 44590621.76 56784901.38 74116761.8 51633279.35 61872988.17 61808214.04 67676223.8 45495312.59 70581035.47 64015143.6 35743302.96 43884226.88 58610216.81 67191483.44 36384053.34 52310955.62 69073277.17 66515959.17 33414013.66 51659262.98 40333620.14 65088962.89 42631257.2 47432322.34 66635016.24 59115755.99 68322136.49 61110797.12 62705909.92 72362798.64 44473047.79 47640455.16 57690467.45 58321260.48 46039010.95 49766657.18 75344069.12 58845784.25 45880665.28 50964854.96 2346970.246 68826636.02 79247212.84 39683246.33 62072110.76 57193561.52 97183566.21 53755177.67 62472498.17 62928879 37389126.99 49116111.97 69997060.23 67234843.06 32410546.06 52926360.57 81093150.58 55128909.88 PE(34:2) 340592.2569 519735.7725 575727.381 580311.1934 254469.8337 386267.7953 402831.0303 457116.9187 187313.4397 500176.8221 551526.3647 566731.0652 233636.7138 474031.5942 405751.9292 518909.188 153050.2003 396491.4784 372405.5161 376730.9974 304268.9864 430842.4164 454188.8598 530030.4727 270569.8943 406670.7369 374908.7136 478547.8378 270569.8943 442587.7286 415275.6681 539928.7976 248635.8181 659452.9704 405471.2204 617563.2931 275576.5476 778194.2993 363191.7559 558956.1617 164216.6205 363491.0684 331062.6095 360022.7307 306280.0365 400508.2914 334702.8564 551032.5767 359764.9072 501333.5083 348677.5314 550856.2325 236116.5402 590907.3958 360030.2727 492473.8621 254702.4101 517703.8797 368683.6552 550457.6727 215751.6507 458100.977 274032.3687 309601.3112 307745.6283 516157.9448 276411.5197 570457.4208 235214.627 613224.3521 350519.1059 561540.1623 239544.5032 367239.1156 414512.5489 526239.9075 272084.501 509011.9807 416092.2933 607829.0596 211546.1807 406685.3827 351546.0012 370128.0897 3,3'-Thiobispropanoic acid 56563.78241 61241.78005 52578.01175 36593.58269 119847.1613 43908.63807 65408.43318 30651.59279 111573.7335 60242.28545 52673.76166 36238.0861 130167.7444 66343.6261 67535.95666 34433.79164 43674.41757 37870.67975 39507.65207 68892.0195 63161.42214 46138.81261 69461.88512 38966.85385 117170.526 45504.6708 82863.92613 29173.12548 116895.7738 40788.98829 85216.2927 36659.23567 79618.20548 42315.70462 79306.9087 37213.19359 39157.82692 41836.66316 58825.98397 40060.30829 48521.81127 27673.82418 43650.08359 66473.94772 55744.74544 51684.87461 58894.92928 32674.26174 52270.76566 64852.46431 44613.7839 27530.02106 129170.2236 64855.09497 84869.08092 35075.71822 88707.85391 52413.2349 52737.88892 46373.64828 67845.92695 33054.2065 62844.40912 67043.94512 101304.1754 37978.8252 48091.71963 39613.19861 118079.7277 43288.77128 103926.1699 31152.8578 135619.3108 90192.86769 80076.59987 34383.62218 65768.4187 84187.17539 58605.02777 33593.59907 44149.92076 13499.37959 50170.70016 48016.67916 Bile salt 196410.9823 171631.9878 179954.2286 168594.7129 136583.3813 115370.2425 155100.4385 112861.5304 128382.6167 147197.6597 183166.741 139578.3091 151932.2125 163407.3922 195364.7479 112744.5599 160779.6079 177236.0986 159633.836 149732.243 186703.7815 188325.7726 148116.7151 180437.2151 140932.3811 134093.0957 180213.9388 169662.6815 157949.9877 101561.3119 244456.8739 103717.3269 135475.2582 152052.3059 174170.6319 125785.0086 212105.8438 163071.1612 187175.3931 175961.5083 136885.7394 160986.3743 190048.0455 153417.1663 140003.1171 167154.5972 180227.966 143099.3848 124707.28 161729.2372 182237.988 118083.164 132237.0646 170287.4804 199854.2178 147785.3125 157609.7127 130715.1177 156717.9685 153430.1753 116763.9812 6539.199737 212467.6573 149678.7759 142087.5362 192702.5154 204127.8273 140150.4395 109589.7028 118715.3516 183596.2512 129069.5356 142657.699 174314.8669 196524.3055 140461.0607 140754.1821 134908.2997 176020.6915 136991.8373 135940.6385 177404.255 207684.5116 139815.6269 Cyclic ADP-ribose 1217299.66 1597120.05 1173666.113 1942595.313 1732380.352 1668872.871 1236142.298 1623248.747 1868248.303 1609640.849 879340.3711 1798370.376 2158310.041 1738010.561 1669525.144 1981936.504 716090.2961 513974.9844 799511.8039 628758.3461 1070462.859 1348643.861 1635583.566 2003455.62 1735744.351 1607718.285 1781105.691 1549476.774 2107704.561 1317280.944 1543470.203 1866800.403 2087506.916 1506494.721 1920220.898 1875687.816 1324863.409 1567908.728 1613344.074 2146285.921 559748.7323 471247.0492 663088.0427 597452.5052 1083439.954 1471429.497 1263543.623 1784570.523 1253686.065 1669477.171 2031788.665 1783915.482 2201011.741 2089936.626 1985932.703 2170658.543 1784001.282 1792364.276 1755924.497 2000863.576 812048.5784 455051.3794 629895.1345 588781.1729 1859878.804 1569173.503 1083052.973 1856401.677 1913413.714 1359573.088 1704201.429 1792143.86 2377377.914 1719441.071 1741966.093 1859332.293 1644094.63 1786676.325 1729343.704 2022646.457 597227.1645 407588.1651 672785.4141 449328.0066 5-Acetyl-2,4-dimethyloxazole 3015996.185 2474820.513 2888825.554 52137.97872 5329068.989 2994921.186 2748306.741 2227001.391 6394298.844 3328951.532 2283584.123 2914011.554 5484782.895 4558836.508 6269492.586 3112402.21 2557732.889 3616297.916 5643019.794 1949667.285 3106051.39 2135491.312 4331720.543 3036642.538 4993686.367 2002176.799 4220618.908 2278830.431 6320686.359 3537965.93 6122095.531 57078.32829 4501828.304 2801685.702 6690698.759 2864331.505 2465583.402 2239561.287 5719363.028 2525835.799 3344981.755 2428359.362 5778952.598 2763041.432 3213045.338 2566426.708 2914412.061 2934054.331 3315707.113 3518323.323 6692925.367 3197531.352 7250049.923 5665146.642 6121213.279 2747904.054 3294061.645 3463430.944 6782389.362 2527671.388 3728787.976 2221474.496 6062952.867 2592278.023 3452512.361 2293759.828 2317888.385 3211243.795 5113555.266 2589482.448 7023547.705 3350880.794 6121321.54 4564810 6972829.662 2892849.808 2912296.926 4445082.524 6244269.733 2480137.838 2671093.624 2141808.441 5479351.287 2370815.129 Orotate(Fragment) 182955.1549 149546.3323 122533.8195 149784.5814 256512.6047 143781.3834 122885.8036 149421.1431 296809.873 171225.5407 91741.89032 147427.3742 284559.8728 136188.3066 165375.1342 162777.9747 195305.3316 180660.5529 215561.0808 151199.7408 160895.4049 98216.83636 161568.1467 171688.011 289439.8638 141244.723 173057.3464 141145.5363 333975.0542 103864.2375 143395.0604 139152.9343 290667.9354 104351.8607 150062.2252 143783.1624 144343.2518 112359.1917 150124.407 143825.3737 195932.764 172587.5675 193120.2541 205162.6531 163131.2152 109536.0602 117036.6744 149662.2364 172990.9833 135011.4064 156328.4195 130524.3795 299812.5642 140566.1244 185002.0166 131354.7516 194936.911 129951.1905 157341.7901 123482.6182 268744.3144 151578.7347 186512.1734 176235.748 298749.5246 112852.3845 97338.78596 152538.2767 309755.6448 107856.81 146820.5605 141678.9723 344788.6774 132807.6477 170558.3085 134504.7925 172264.2497 133880.3512 164248.6037 141577.8267 185186.1917 140577.9374 204939.9714 146433.924 PG(34:1) 502142.5173 389789.6097 600631.8541 278834.9677 172131.5885 360248.8652 466925.1083 274185.4764 167100.7868 408357.8594 585743.1759 292748.8494 161991.6272 424634.494 207769.496 247070.3759 101651.685 116797.055 58641.17654 200154.1253 703243.1843 538418.5155 272916.991 277284.262 198464.0016 417777.2395 254918.7131 300832.1997 172851.7373 599168.2465 265511.2504 321973.8706 156271.9332 675530.553 210689.6736 275952.726 512311.0414 780561.9593 209019.6715 274919.0009 102458.6485 113115.2338 38445.07231 190622.6445 375029.9663 422654.1374 462714.8774 300770.1636 502573.8253 510400.2648 158663.7686 242949.3815 131766.8714 197893.4466 221804.738 241249.6351 407268.5713 593932.5355 207478.0591 292475.2291 89081.71369 133257.2698 46157.30229 180039.9691 209065.6488 419193.5161 371486.8945 262681.3495 137427.2853 598613.9835 208791.997 273786.6252 91778.41907 373052.4915 236958.1142 289587.8438 412306.914 467158.1407 143520.7297 256440.0866 100536.8989 110386.2509 67766.43603 198987.9736 Monoglyceride citrate 107685.5123 120719.5833 90396.32715 146482.8684 105950.5192 128767.1227 118309.1404 92728.99385 113850.7415 132754.115 73961.49262 109585.316 115781.4457 112558.8275 126612.8722 113648.9893 124211.7515 117873.2763 97825.4487 76020.54214 89849.09137 148111.5754 124680.1638 145606.0063 100955.0908 123970.8831 102791.447 87484.25316 121389.0438 118780.135 155980.8001 100668.8961 108812.337 129375.1679 98947.83821 109318.6674 127128.4008 112751.0226 126809.49 104850.4803 97765.53841 91858.84939 93543.99869 71395.40379 89709.01904 121896.1587 96854.15201 152680.1254 93470.2795 117341.8038 106436.6361 93798.05531 108533.6445 137882.9506 90215.2204 105507.8065 98789.7894 119689.4386 92183.95989 90122.25495 103008.0341 95919.06716 87263.07848 73042.0284 126071.3022 139340.2681 141462.1599 142510.0526 124110.3624 107375.864 129157.7839 87653.07091 129613.9899 126949.2788 141997.1849 113240.4408 92212.26222 122251.3779 116026.6732 107861.211 100768.1786 93116.37508 112610.0203 66878.35632 5'-Dehydroadenosine 84029.49083 0 88477.01208 40661.37422 86010.68207 71648.22279 50522.63675 0 90665.43651 73579.65996 25150.63182 37057.12622 99283.12655 68562.74795 60089.12882 40768.23361 509982.6248 350245.2688 250947.6581 488477.181 146332.2993 36548.45033 58455.35826 86463.8462 88182.92784 34871.28564 66144.91426 0 41220.40502 57207.85861 57862.22931 0 0 33137.15546 36920.72658 39476.03409 111651.6169 57827.16339 30401.60161 72300.49512 329140.969 274510.9153 231786.8903 363131.1748 108516.2743 81548.06178 42212.92888 65910.30577 66531.2923 62818.50066 94029.91258 29171.55547 103759.6921 84218.23365 56917.39584 43184.98726 77495.18329 32045.08599 0 38548.15949 448561.6359 263519.7456 215165.6509 318096.8365 115665.7537 77734.12517 55429.9465 38657.43443 85742.10754 35144.215 57012.85583 0 132661.4713 55703.04665 56459.62319 42403.70019 74643.29743 51855.12085 31005.79091 41701.34604 425818.8697 291620.6555 232014.6533 338467.6261 PE(34:1) 717006.0085 957612.926 1031451.381 1525928.214 627376.8927 727461.6639 840462.2199 1183798.146 585461.126 940804.3851 1232638.209 1444980.875 670874.9036 914364.7237 1498303.743 1345721.1 452684.555 813214.9441 1192039.516 811044.0383 682820.7178 987000.8553 1331679.871 1470620.087 595226.7315 940451.5739 1435293.986 1319438.522 615310.5546 627577.307 761052.061 1404810.452 582116.9596 1216580.281 1487816.096 1435551.142 610810.5564 1431532.051 1135022.131 1379245.491 371351.0337 735862.6363 1462163.577 779206.9844 754987.8486 828449.2513 1096266.321 1343067.316 785014.9815 860242.3309 967217.3436 1289021.239 580159.2999 1296650.343 1313700.921 1289033.9 569109.9413 1102792.253 1346098.78 1294288.334 439879.0365 987235.9972 1086664.051 775140.8262 985516.8965 923028.8509 514656.167 1438761.343 567695.1981 1274589.069 884786.9874 1439989.849 577200.1981 850573.545 1082917.152 1317137.569 537073.3582 936747.2718 1407318.389 1470123.153 498999.1335 860152.4497 1466116.17 901249.4124 D-Glucose 4237267.747 6048652.91 7347135.63 8980310.483 8173776.348 5594970.752 7328774.438 6610772.455 8531463.473 6540760.323 5560681.302 6440492.744 10487613.35 7765285.654 11358868.32 7388335.571 4741826.909 11427553.45 13242654.19 10422139.87 3404230.549 4780469.299 9732769.356 8605278.441 8657796.742 5974006.773 9210313.612 6360398.064 9128772.037 6530435.409 10756778.19 7122236.141 9071879.865 6398858.635 11676368.83 6496825.334 2895440.148 5628944.174 11373370.68 7241435.034 4929982.402 9040445.801 13463435.38 8276529.166 4747394.931 4295784.822 7206844.269 7719814.29 4330004.679 6794891.835 11661127.84 6371551.547 11769779.82 9991838.361 11895430.07 7871285.437 4689513.614 6969036.853 11729236.6 7026706.285 7032463.421 9431893.425 14322317.29 10712218.01 7022959.486 5057125.258 7096588.897 7965904.48 8935258.548 5377163.084 11078265 7061982.449 10476491.29 7811291.826 11510404.02 6561520.291 4291301.817 7665608.06 11695269.42 6943713.978 4148401.734 7090121.584 14145175.78 7419865.858 L-Aspartate 5205031.768 14622135.42 8207610.974 6721819.032 7662799.31 19630755.24 11972750.32 6163395.468 6738638.954 15964593.31 10620294.92 6272192.897 8860934.991 17408361.39 17522595.31 8233690.062 5309342.562 20991037.89 27551830.86 8858818.886 6076932.645 14249872.61 11952523.77 6754727.863 6526883.582 16983244.89 13529633.1 6208267.793 7625054.585 13303260.38 16952682.43 7118071.51 7453787.621 17420138.28 22045681.45 8808244.511 4951359.467 14960531.89 21335447.19 9718935.018 5348308.647 20862567.23 27010494.58 10402610.05 5422969.44 13376059.17 9906503.193 6826726.673 4289516.945 13430657.58 16921787.02 6621693.155 8068271.141 18913122.61 17928112.46 9499983.47 8145646.01 16389675.31 23806006.14 10998779.71 5209454.68 21164248.66 28471030.73 9141092.699 8058730.358 14445820.57 9357988.764 6428132.6 6151027.838 13654450.35 16575114.05 6843190.107 9054026.135 18458645.6 17397404.55 8746149.398 7085756.049 19090751.55 23565095.09 10431357.88 4985169.341 15635557.04 28466068.03 7350521.317 L-Fuculose 1-phosphate 83808.97388 126968.7461 86898.9189 134461.3738 103106.3032 137446.1355 97541.53202 107093.5446 57621.12172 84929.92059 71053.26121 124091.9603 125671.9616 83314.72133 113732.9529 55995.61471 39590.61484 115446.5041 164436.6589 141862.3875 68668.89957 93484.1102 123752.6026 157126.2498 123637.1051 106430.7461 114668.3449 129937.5238 114479.7007 81307.44231 99883.34802 123202.9377 61633.66433 77881.38975 173155.8797 122279.4607 48178.58115 72911.56771 129166.3643 133589.3172 43253.06331 90456.11945 149780.6271 184472.2793 80092.1567 105854.527 76190.02663 144082.6625 61163.74657 73201.00861 105133.0407 151760.4124 118807.4572 110365.9462 114303.6654 126096.2596 81617.96972 79273.2583 101550.2373 138826.248 50958.20007 102121.9809 169242.3341 170433.9884 93127.32388 87622.85816 82215.40219 133480.7131 110302.0203 85634.6588 117126.4631 128397.1335 128006.1991 104486.711 97061.17993 117372.9694 70961.94383 84934.45535 108855.0974 118401.787 28801.2628 101826.0827 149183.2824 122100.5238 Orotidine 829092.3981 619952.3023 505165.176 789045.8593 1331977.032 709820.4397 583630.7619 662817.191 1415758.848 632730.4136 446122.1502 647113.7176 1287061.516 657552.9019 788618.9306 683861.7968 946147.5963 853614.4351 941249.4204 827983.1795 781736.2218 487536.3961 824548.6942 752179.0996 1358873.212 618344.8845 786310.7542 646317.9546 1554351.046 538444.4752 775263.8626 679537.695 1352586.897 559498.3733 772735.0093 721809.3102 618439.8631 459418.7662 717885.601 655268.6467 973476.0647 746639.2631 935664.7519 984883.7167 828871.3859 538917.0637 553829.8422 632363.4381 788693.1556 612072.2552 795968.585 628784.7822 1416953.984 626184.4955 798161.4252 672299.5745 942064.6951 607495.3103 806261.588 641425.2639 1276844.355 701091.665 922148.0406 908469.4656 1340742.79 522484.2752 453101.4978 744150.857 1321451.186 507151.1413 764961.6507 673504.3476 1533175.969 571068.2312 807957.5986 688267.2589 819432.7706 666008.6525 790384.5809 671133.7701 949412.4861 621785.5487 939026.1762 694233.1183 UDP-N-acetyl-D-galactosamine 535491.667 1308420.525 1294718.529 4131197.214 1370586.797 1661676.334 1319302.21 4058089.726 1589771.112 1375981.607 1061928.888 4333052.301 1820407.029 1462312.307 2124497.35 4343688.141 691252.5858 1828818.444 2603324.949 3313273.452 507753.2517 940787.9782 2002962.953 4314845.415 1475548.308 1493333.995 2373977.866 3569662.632 1557718.433 1286204.528 2057508.558 4162411.995 1524753.6 1317471.633 2294759.598 4006582.671 549492.1371 1080026.77 2262068.167 4036386.322 659146.9471 1889261.16 2642703.027 3580894.635 705292.8025 1070604.497 1188846.623 4163274.077 847178.4455 1367829.489 2277053.967 3903569.877 1525764.282 1591636.398 2200072.961 4751233.197 979993.634 1329573.983 2458273.791 4071085.549 928055.4512 1656035.936 2592256.533 3364505.572 1137458.642 1109941.445 994638.5361 3879370.195 1615113.307 1155272.215 2215934.396 3587583.789 1568342.436 1499911.724 2154425.825 3992290.062 913332.1226 1575599.162 2273480.951 4518734.79 587100.5473 1492690.18 2257238.829 2896450.215 cis-Aconitate 18542.48513 54620.20972 58521.93652 46075.64821 70028.98954 63218.30074 65963.35769 36142.99397 64482.13214 49743.4674 48696.35509 33256.32866 60034.63335 38431.28485 80244.37163 22832.14293 46007.87575 242106.8776 246509.5914 258016.2174 15182.58512 48091.22129 101497.4502 34892.06813 60878.29438 56255.64965 101943.8302 39890.5501 63858.95652 46738.92346 77846.03065 26911.09034 57783.95186 40540.3839 66402.12488 23754.63281 12265.4536 25041.20645 48599.42925 21338.17481 64207.83447 181394.1786 323521.5438 337263.5331 43309.43684 58576.76568 56816.34492 26177.04201 30811.70576 59609.74629 87336.15533 29640.37262 65045.12299 47077.50897 70418.29076 26362.73228 26261.27761 27945.59059 53781.62468 25922.8428 60778.44787 175083.5835 277721.3419 332953.5447 53443.98671 51815.14499 73724.18675 44484.3393 61118.55721 59307.99841 93877.55985 27328.36169 39479.22493 35333.26295 68745.14666 26611.29441 21877.73813 46298.84318 62998.82021 24888.83094 61270.32147 136235.7844 283551.4976 237973.5177 CDP-ethanolamine 155051.7195 118156.945 107245.5514 200000.4885 346269.5113 144987.2339 113530.0516 174488.5942 495028.0274 175509.0031 118844.7577 271368.307 721588.5833 287849.6066 216304.0153 461026.1748 40858.38782 58784.34042 71328.44053 90751.8181 139968.8817 80341.33113 147399.7504 183673.3785 248689.4459 128488.3877 123160.2739 171606.5716 228327.9723 104723.662 135199.0004 181966.4042 169664.7637 139682.224 153786.7499 236838.7834 105201.9816 133416.3092 177405.8389 265639.287 42238.946 48731.8482 76331.40029 81402.3991 132010.9434 102149.0217 84155.57881 180249.7516 209607.9707 145971.418 163640.7221 221040.8715 410535.3324 244431.34 223542.3736 395754.1558 384594.1979 327028.5043 296237.7809 614151.5829 50503.22273 57347.12217 64714.01403 99445.97204 243484.0215 129645.9398 115169.8412 207155.3619 270569.8943 120055.8079 155177.1321 211583.8319 423662.8886 241102.58 177734.9026 406240.5651 328348.7122 296515.811 332298.6882 548795.4568 80403.08432 54074.16315 66446.62003 71129.23628 (R,R)-Tartaric acid 100527.0565 188565.833 126367.9611 186588.1584 143507.2745 161701.1733 122526.4057 167340.8662 148039.9855 148168.9882 128428.3321 151913.7392 179070.1107 161817.9225 203329.9616 165566.9914 158903.3311 369556.973 414370.9817 129715.2323 153730.9648 168554.7862 198641.1803 191131.7889 159032.4161 179055.6288 179415.2815 154351.9049 160950.4852 150395.2294 190178.7762 165626.1476 136262.2863 152168.7529 215063.07 165150.0352 143945.5011 141355.5855 192483.9865 163585.9281 117903.1143 314237.5656 361308.379 141769.6481 136355.1448 196438.4014 144322.6657 166518.9474 132661.021 141242.9818 228504.0059 164430.5734 177552.7204 166914.6914 248847.352 181910.8539 130795.7313 148014.1731 201841.9708 160984.7599 124695.7755 274905.8574 439938.7829 138535.6255 187186.0659 175296.7643 162987.2565 198496.8256 137160.7262 136266.3208 190866.8648 164825.0294 174322.53 174389.827 200283.8307 187958.2966 131261.691 154854.3399 208329.2824 172758.8742 140704.8007 258115.9288 431951.6337 128530.1821 sn-glycero-3-Phospho-1-inositol 148709.2733 183167.5511 126674.5882 274901.0942 171939.4181 214257.6 128348.7678 230896.9257 199221.3538 222251.2762 107848.5644 274465.5744 257373.0718 148697.2449 209484.5393 177277.6654 31162.1022 24121.71772 24713.11566 43523.02765 159522.9833 163687.7101 170606.2557 237645.96 214622.6228 184735.9579 191230.3869 230656.9201 264065.6793 140210.0636 157188.3561 245333.5993 296086.1724 185199.4438 185619.219 233426.0569 162577.3887 118373.1437 182119.782 236214.3643 33723.74999 37802.67 18547.93037 52927.17013 128372.6807 161495.6809 131366.2273 233713.1925 141417.1817 165637.3168 181823.4234 256699.0263 294784.5417 163161.4792 183096.9687 251387.0224 198478.722 143240.5343 183261.8555 197892.7134 45731.02782 18260.93406 26848.57055 39603.86223 240124.3905 164610.3963 117475.4267 263281.2211 263737.9573 136156.5251 186849.897 227905.4736 357385.0543 185464.0014 199126.4201 204931.1907 205026.0059 169273.4591 170460.4337 183809.9496 36148.55635 18659.55928 59937.69076 40939.93063 Citrate 2035137.228 3368355.393 3734253.832 1104407.326 3080729.746 3540502.305 3352517.028 1044328.214 2689805.405 2825390.424 2469801.783 993014.1018 2394048.284 2109546.326 3827967.24 965987.5008 5160853.686 12481157.67 16619975.39 20769835.88 1613899.136 2797882.77 5268427.451 1076917.212 2737816.839 3029655.288 4214103.087 963546.0998 3184527.526 2252344.875 3771159.49 1093499.137 2226287.627 1782302.971 3621591.135 956459.7982 925381.562 1331933.661 2789122.824 982422.8932 5146887.396 11590315.13 15470407.11 22475712.23 1920151.266 2917804.251 3774104.108 1110779.367 1746013.331 2488372.096 4358581.507 896910.1571 2300683.834 2346160.37 3523303.82 1271938.308 1381901.832 1812577.077 2901131.537 950723.7163 6335603.005 11962401.42 16405563.44 21781509.95 3215012.527 2873953.242 3562352.182 1527203.698 3086475.3 2014550.936 4213896.741 921066.7367 2518089.17 2131008.539 3492747.75 1025687.537 1158731.43 1870843.236 2853272.623 958719.1945 4299291.809 10788534.36 16517348.11 16712034.32 P-DPD 469408.3289 1033252.499 865765.9436 589410.8084 553384.2205 1198047.611 930060.0248 537415.5459 568880.5453 1025061.967 726801.3735 491753.398 604383.7385 986610.3524 1233668.307 533383.7431 327708.9079 1290788.358 1618664.73 658471.2155 364246.0683 859764.4581 1274434.752 552837.6186 552743.8324 934632.4406 1240712.692 508197.4244 627697.0253 864715.6662 1311247.927 505092.0733 618793.5493 865134.647 1357414.038 493307.5207 250687.4805 712144.6419 1328934.677 495944.346 334481.6952 1064914.194 1554161.698 727607.3805 297202.2735 1020051.425 971087.5307 490893.8314 350386.4044 925381.5514 1411123.273 513823.274 645911.1031 1091089.234 1261489.754 549837.3829 378555.551 906919.7109 1272260.086 492082.4004 480871.8457 1109128.842 1538219.047 702619.9583 677536.6731 991745.5247 807369.3828 562753.9944 550538.0845 747119.4655 1329861.252 521988.664 653018.0071 1033912.185 1327302.69 542536.2007 333327.4351 1053181.866 1296403.377 525736.1697 310849.5763 870515.5014 1539327.778 517866.4604 D-Erythrose 178911.1612 131484.7237 81610.74462 158717.2687 382684.3138 124645.375 132373.3806 126084.2018 297728.4438 152620.6613 117972.9294 134199.7123 310885.8458 138623.1535 183458.092 141392.6859 302889.8076 165562.1132 211172.3546 196217.9995 159302.9939 115205.3929 159951.3544 163841.8349 348412.0141 106882.249 151288.1152 126575.56 318678.3573 107786.6857 162323.4672 145324.6927 282282.0031 111047.7263 147558.2458 108015.3793 78500.18556 78186.20062 181820.0117 75619.19165 271467.1391 147351.6725 219405.1029 208255.6262 139461.2378 107257.0583 103508.5236 179183.4916 253600.155 127707.7824 212670.6273 163260.179 194543.8149 130096.7603 164551.2233 128528.8575 195184.0802 118268.7834 193444.7062 113114.4703 352070.7299 162410.3034 268422.8759 215492.4228 303431.8348 133325.5341 112500.3392 155931.9167 395046.4356 108545.313 196925.4759 159032.6555 255408.3298 146707.5425 190994.273 116426.3338 133154.7747 151079.323 189050.6208 105955.5175 278575.7333 121055.2466 230592.8325 146457.8587 L-Rhamnose 101470.5425 94697.42667 60021.04591 106283.4205 123669.4889 99981.4749 77538.4279 97054.97762 123937.4867 84076.09169 59300.02758 84825.42285 113255.1402 75798.73374 86830.63036 86804.20219 96461.79121 131783.3973 176442.8553 109435.5975 89379.19947 87707.1538 92284.38882 105982.353 115871.7633 76081.04561 88935.23484 93932.71624 116062.8031 74984.15192 98230.88505 91752.90458 112483.7268 83134.72287 90596.39574 85995.26392 60099.00939 70230.28196 92626.95289 84145.31576 78267.42735 124026.61 144140.4225 137636.8648 89887.70399 77042.11897 64310.92048 95205.95942 92302.69223 77828.13711 95576.49841 79914.20398 118416.9852 83847.05943 95911.81041 88462.36973 80702.37894 66494.13478 101026.2634 89260.60685 92871.61957 122107.8539 148595.8729 122807.8801 133135.7007 89762.81687 49890.76279 101781.345 116075.9974 72170.63065 99629.41779 101620.2589 117789.1421 73614.30969 83012.83062 88031.33559 79111.66987 80201.16174 99475.88279 79203.95201 92039.08528 112750.5182 140115.791 96102.55118 Cyclic 2,3-bisphospho-D-glycerate 69826.86731 95456.74614 65532.39049 110151.3633 202525.428 146882.7168 79746.60099 123048.1802 243393.4353 96086.79505 66932.25264 103642.4345 270569.8943 111021.6744 147701.1561 109435.0718 105513.8525 113841.8345 147732.9032 102503.2694 65111.64428 75454.84578 148167.0064 92557.37501 246464.3312 106959.6565 138373.8163 123258.1766 251178.4515 102135.3658 129591.3038 120310.0425 252386.9838 92165.42087 167287.9053 133342.6262 71356.42614 68582.22743 147511.2687 142692.3205 72825.72134 105185.5386 133320.323 128354.8014 109489.2947 69304.13451 70527.7979 88626.56028 124226.824 90224.71911 155539.3618 114758.2978 266482.0787 119437.6517 161075.8327 113995.3448 147139.1004 95115.28196 168133.6517 110339.9501 174253.3333 93968.67697 137526.0101 111443.2768 167480.8978 99334.68981 82363.92324 101976.4038 235470.0404 70992.63429 137542.5665 115727.2485 284824.4952 115184.0237 128941.1274 115691.5884 103968.5934 105638.895 180039.0857 128894.0365 77490.99675 74914.95593 145601.4669 69764.33524 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide 92039.2577 69325.77595 72853.15335 78254.18415 127948.1012 105044.7496 91234.30754 64099.30156 174135.5979 56329.83902 69244.95506 57636.70634 144378.9308 61766.92607 100493.0678 76332.25128 71263.65288 73251.656 185819.5598 88193.14204 81990.61382 71704.70928 115077.805 65397.7056 113472.5128 57149.77539 129923.6911 55809.13885 146150.0451 53827.39492 115057.9014 85212.61556 139545.5272 61774.62604 85722.11759 62227.90263 79214.77093 48311.94694 79291.22173 73626.47413 58446.45464 61050.56634 193551.5831 67547.22111 63576.41933 77469.83215 82212.10937 70470.91474 82070.48966 70870.17457 128898.7261 56517.27575 131557.8053 79564.98239 93073.29001 64028.19225 94928.70232 55535.20466 72795.85077 70358.79377 79164.45776 76860.46601 218908.2243 70122.10096 166469.7283 63745.97529 81456.49798 82661.21907 134298.9303 46072.57568 94495.2286 69640.86252 161160.129 74223.7123 95412.07151 82460.09516 104339.5507 64697.14536 84078.02278 85216.15551 73082.3884 57358.10653 184241.6421 64256.74803 D-Arabinonate 651890.7496 1111938.211 1009813.405 698553.7988 926241.1974 1193720.41 1040049.51 686426.5161 1045685.676 979110.2382 857376.4091 152433.5903 941669.8142 1009429.74 1430019.223 190780.3241 1322336.343 3915416.154 4340004.836 856630.292 568367.1961 819701.2187 1511810.38 733072.5268 990865.0224 998753.9151 1418936.469 642556.8812 1073661.744 948579.8354 1326421.223 179037.1553 866990.5436 878565.1187 1454062.241 680021.1275 441357.5047 771762.3095 1376599.373 692753.5394 1291366.834 3334638.748 3990604.895 996601.9343 623933.7475 941437.2411 1025560.522 618940.7359 621272.8292 939501.8053 1372460.825 688996.6973 972595.6354 983417.139 1403998.174 182026.6129 562668.6926 854175.9524 1448093.072 743106.2673 1754587.76 3014968.188 3924658.672 934941.4988 917971.6452 1066821.61 644016.1154 217617.3266 1454948.799 794654.2341 1438252.984 172524.6399 1039593.06 963598.9272 1374813.859 180977.6867 515787.3593 920831.0299 1424348.534 799277.3711 1164886.651 2586445.963 4187781.644 656597.452 melibionate 184997.1831 203511.6355 141533.9942 246126.7884 241040.821 202879.2704 166013.2263 226973.9102 295672.5288 164337.1617 143498.8896 214332.5078 257462.35 180184.5502 226055.7331 289750.4125 134109.3604 142426.2183 193756.709 140127.392 158204.735 172356.0601 210598.4931 250677.3859 258087.8254 203554.5377 228496.5068 231110.5537 250451.0048 146673.3954 252795.9587 196747.7666 228590.6774 173897.0325 254161.628 246736.7526 126811.7893 177912.2556 242549.0117 199460.6988 122569.014 103291.4034 185984.4634 147326.0988 150186.431 168941.9876 147952.9372 221604.0149 146027.3539 165380.1394 227523.3861 211707.3066 266629.0514 180683.3275 234648.6693 267790.872 181343.9655 192472.0963 230950.515 235114.109 111239.8271 137456.3913 193900.9837 137143.729 232869.4759 175211.5339 145587.8635 250916.2326 275426.5185 155688.3762 207348.9421 207750.1196 305100.9713 176474.1204 238990.8592 222161.1552 143517.0707 178773.1106 214715.3277 274507.228 107378.172 109044.427 204450.6834 126933.2748 tartrazine 57530.86616 74348.45265 43485.77627 69261.15509 132284.7362 67601.80781 51419.98078 56220.83023 135398.9437 63333.95108 36008.61623 64449.6559 157955.99 86636.27933 82266.22542 69210.80381 45320.66067 32748.42201 30969.6084 37490.58899 53162.46707 54242.18664 85586.76011 80286.19058 112594.1538 81780.35041 79572.57889 62107.58849 135418.2723 52722.4773 66974.14148 61395.02822 169783.3927 76216.48091 76398.49759 81652.73592 89704.88051 64233.42029 101858.0037 80542.41777 31760.97003 30265.97704 30174.91148 40863.23015 72039.04716 54842.66687 43920.66127 67184.31975 84710.47459 47942.31411 96591.1755 63446.51781 170385.2803 72500.8377 76272.64791 72815.38768 131016.2063 86997.6491 76655.59093 69166.73459 57112.88921 27688.56205 38982.67239 52532.61668 147128.487 58273.72691 29049.77022 84895.92274 134571.6158 42683.34842 86785.94407 57841.41012 146506.0135 70093.16124 87424.97826 71373.3449 114330.4166 91241.39856 79453.35923 86206.30474 28735.78156 10949.7226 26147.32619 33830.59559 N-acetyl -D- glucosaminitol 136511.6322 136813.4865 103487.1357 117044.1505 175094.3322 96188.87945 77007.71535 128642.927 192767.9253 106011.3593 68088.93686 96548.50062 160023.3334 92924.20239 98163.04835 118518.6338 227518.3622 201566.644 274584.046 414877.0994 143573.9207 99177.82675 122567.782 114463.2457 207637.8522 106250.8551 114016.5267 114246.49 174436.6867 95913.57779 105130.6994 105351.0524 165879.6494 76599.56803 103078.6328 112633.6219 96467.78055 70486.53302 95695.99238 109963.9236 233224.3469 210272.1008 268158.0264 433646.2304 115751.5812 106834.3359 92519.22149 96991.37903 124484.1921 84776.02534 122742.1109 96849.48116 180094.3619 83783.40468 119988.3003 115307.5487 115644.7196 77747.38111 100911.7609 135056.3498 284589.0402 203285.6038 265113.3356 480094.2949 185206.8433 111779.6559 106203.6222 111019.577 189373.7585 79846.94529 93348.36923 124066.7701 162391.732 71519.51369 124319.1456 117739.598 117266.0667 106616.5048 103808.1578 124099.9236 234221.6839 173931.6588 288635.277 359995.0754 3-(4-Hydroxyphenyl)lactate 104510.8526 142232.0019 126916.4728 114478.1677 153719.9101 146788.4931 138384.1321 82177.78618 123545.5757 81172.49523 71400.74624 54078.37987 161669.8523 49461.64006 59820.44261 47952.12902 34225.28005 46374.88356 59334.46477 55067.27198 116168.6028 138036.3424 210819.4414 107952.4103 159527.5121 116434.7832 153217.8347 83245.70724 139949.0698 73140.676 105102.8662 63958.81334 181263.0487 53349.34855 86458.5893 66826.80441 156405.8825 66315.34972 69474.89248 79290.91506 27902.51109 29131.1554 61983.53193 60614.81523 103169.7134 148998.0112 160778.1365 82641.0444 83371.35306 82650.2572 126938.6511 58589.53557 199094.632 68996.15996 70757.61587 53296.24662 158368.3002 53400.71549 57089.24904 65888.05555 36782.47918 30209.69745 57068.29722 52252.88272 143508.7744 153113.4552 187115.3885 108913.5483 133761.4258 60839.83039 109378.2117 66640.88149 183325.063 59984.91428 70534.57928 52341.509 135372.3317 60987.03874 72311.7376 83131.06931 35864.45765 31333.86702 60031.98049 50061.2596 2-Oxoglutarate 91181.23781 758773.0006 630045.4249 753572.9293 127542.1745 398120.4389 348532.8842 344600.7412 170797.6191 202234.5715 153658.7911 177296.7092 479809.7976 179106.328 147763.9765 202639.9402 18792.67787 44139.41273 69710.24263 68538.05641 65303.85831 553721.1412 913487.3169 668711.4776 96642.83706 358772.9756 525960.2389 325825.0539 177315.0001 169010.0113 292040.3966 230610.8925 934555.4667 235888.6241 290700.33 349252.4903 1041408.308 503690.0968 366407.4052 845698.1536 0 35710.26799 72928.05445 79603.25652 92840.93867 636050.8558 624178.7911 601762.2659 130171.6524 211570.6572 346138.3592 198874.5746 696975.2616 232882.3472 199450.7954 271705.7677 944724.9188 279323.191 184792.3172 529479.4645 15179.44567 44818.13917 86478.31453 72707.26602 147925.3988 517533.5841 590514.1328 832079.7566 163036.1262 142947.2806 301430.0505 201670.0633 694392.3231 181676.5462 172859.538 219969.3507 812323.8105 271188.8872 170009.5876 561003.2868 10796.62389 38342.36193 72961.98079 50518.16428 D-erythro-D-galacto-octitol 310461.4738 274519.5324 177889.6463 326465.5362 346825.7861 252890.9518 202792.9483 397512.9355 379099.0799 263721.2106 176619.2524 401377.0794 343265.2292 230520.849 251306.734 445887.9748 245082.4689 223820.462 260483.119 311833.4491 272846.7644 239167.7231 262816.3348 434194.0188 328868.931 268120.0435 232762.47 400423.2943 370402.1526 209996.2393 253068.1052 399805.3537 324334.0785 227483.4602 259455.6685 428074.2824 237979.1184 200139.9697 216154.5159 418222.1862 224719.1305 202430.5765 236952.2554 312662.5942 244069.4353 264840.26 205361.0618 312696.5232 247995.645 211853.0569 248329.6356 393298.5197 365904.6623 251301.7045 260954.9616 455734.7261 291865.4183 244371.3592 241945.5612 429985.2773 247563.1123 206851.056 231551.155 352291.4638 389332.103 260145.1761 154116.4891 351970.4751 322286.1214 215999.8968 241026.7619 422970.3054 382386.9632 239655.152 241316.7736 433386.0187 239132.0168 237716.2121 224467.8814 435403.811 208387.2665 170532.5132 220605.3692 268006.3566 PE(31:4) 1622687.403 1846085.168 1671850.641 2198583.173 1357158.046 898689.0733 1311217.973 1590324.103 796373.7562 1458567.694 1388634.356 1881638.243 914679.8077 726888.1527 1283194.844 2017541.775 1509709.471 556587.9564 1232689.021 1081139.097 1780216.009 2058141.806 1725151.617 2074715.684 1198047.097 1559199.455 1187363.856 1398880.066 688437.1188 796649.8463 1121462.11 1605660.814 951167.2699 1457814.948 1459843.023 1696843.892 1491593.481 2280719.373 612719.3318 1515943.364 1503838.557 1663102.624 1266330.697 1319092.337 1291926.259 2020488.763 1711836.086 1407099.072 1515216.653 877306.1199 780477.0397 1449750.048 435428.626 424075.8397 1734300.387 1763124.016 1374815.518 1164367.329 1483110.056 1720311.163 1406636.406 1363384.029 1805439.851 1115066.998 1356612.191 2220156.061 1656044.82 2153947.445 1119697.308 2086453.564 807278.5617 1686557.338 592780.4633 241827.532 653258.3177 2090910.805 1276086.552 739858.043 1271363.609 1634765.897 1537123.161 1514222.003 1299647.439 1320959.499 Ala-Cys-Pro-Ser 199486.9313 342297.7169 176045.5401 379509.9876 277536.4227 326228.0697 157962.6855 785257.12 406980.4913 347804.9299 156615.315 961346.087 493329.5329 310683.7289 248748.4296 823597.7098 222384.5628 162074.8986 88670.46414 341682.3879 201085.2903 307140.3819 191111.2103 580486.6575 268836.0217 258210.1066 227642.5479 753439.5331 362820.6059 294890.4888 239562.8626 970139.3147 388660.9642 292336.7164 236871.6706 1133505.894 240826.3477 243805.8663 199755.2777 936046.8108 161298.2257 114109.3689 76769.32126 318694.4233 209925.6021 329648.5819 198204.6575 341706.3497 234885.5189 296651.9338 204034.4196 824126.8253 400504.4359 317206.2422 238959.8599 982662.1581 342364.1398 258156.5729 226313.0545 940910.5976 241916.4913 116212.4772 85456.96106 362730.2971 229363.4937 293935.1783 183250.7876 384086.8381 321350.4969 306854.3559 244421.674 800232.8996 453141.86 288571.0974 238319.1261 1059433.148 236491.7205 329348.2905 214142.2922 1030153.607 158439.6634 122124.4011 126194.6399 254397.9672 2-Amino-9,10-epoxy-8-oxodecanoic acid 67603.66194 28947.25439 34094.10934 171975.6396 79965.79582 49380.00018 38026.88075 163057.1444 124172.1223 39925.42636 29152.24109 133037.0139 92996.87057 46318.16033 38450.47093 142408.3028 53807.876 54595.19991 27578.44185 127511.1009 59795.06318 42015.72568 56406.11406 135008.7553 104242.8429 40509.00839 43310.04576 132718.9447 117642.5119 47244.28496 45055.80417 136305.122 99436.70511 21873.61202 36850.72418 147411.6253 66440.25379 35747.53513 42315.78462 158375.0253 60073.82837 47344.46635 37514.57436 133285.8379 76459.00652 24242.01272 19601.92656 126685.0373 57214.32154 42704.19494 44696.71463 138400.0772 116659.1286 51466.69718 42047.21211 159252.118 71969.55261 38578.20336 40030.30637 130501.1133 89648.75406 35953.17778 53635.76604 124825.9057 101375.0044 49803.83534 0 172304.9527 104396.5828 33281.38928 45323.72044 145780.794 130235.3422 56474.19455 41933.94705 142655.0124 58438.54227 51139.01811 27724.27812 154629.189 63688.43759 27383.61377 27211.89688 102449.1152 vanillylamine 162959.9103 136480.343 198138.8858 254075.4912 201218.2984 127520.9819 191784.2085 175359.6605 238899.6874 186161.1732 265723.2333 209968.4299 204887.3314 228266.2776 228174.7344 204456.7388 104720.1669 181033.4427 230355.7613 139962.2197 211516.72 143912.5715 249983.0061 270569.8943 168506.26 139972.6696 166400.6816 212475.6198 244153.8066 191255.5051 350603.9544 273923.3785 174129.3901 223753.5369 230851.7236 209708.4693 144631.9533 172473.8425 215803.0154 181178.909 140627.9177 192634.4059 182105.3895 195779.589 196005.2345 167211.514 165900.5383 210316.2032 160294.4749 192769.171 240781.8775 180716.0705 205229.2859 214140.5271 256141.2952 216085.4658 173003.2156 187833.7066 249534.1057 236040.268 205687.0139 128245.51 240231.2931 195566.8493 166322.6379 185018.6751 182420.5724 217814.3958 206327.8069 202386.5831 276132.7584 250647.5576 198208.0676 192848.0646 290958.9331 196513.5647 149013.7542 227497.8146 247542.7052 176043.2258 129634.863 135202.7139 223210.462 169084.809 2-Hydroxyethanesulfonate 181654.7681 72956.35542 111577.7241 86681.83823 140872.068 109647.7447 137380.4165 94921.79409 126801.0835 91448.46936 104632.8434 60999.96164 115079.4872 68090.85916 162198.1043 74413.49906 78530.16087 134992.1667 264099.4079 150717.2167 168585.7813 93558.09712 130644.3931 119628.734 143540.8144 82855.0269 145084.036 122152.8163 119769.9019 80292.21777 200347.0108 110395.8594 70380.6008 111427.6556 156597.1795 86330.28545 27443.03567 70073.0795 144778.9098 71699.07031 93178.93907 122632.778 246122.104 174070.7133 146555.1929 86351.31743 107802.1894 79146.24425 87343.38458 53862.27954 184373.569 100009.3786 105143.1047 55984.03476 197205.4401 79197.0106 73964.79516 68919.97125 199130.3043 106139.2062 103643.2028 122622.75 240783.8687 165282.9961 251939.0228 75993.06973 39849.25298 93374.0955 96080.26344 77183.98745 176587.227 94361.72597 144149.4137 86002.15717 162225.8962 84292.91949 50345.61755 98638.67966 176673.5864 70619.90019 82662.78665 102052.2853 250560.7579 127808.5547 Quinate 0 435904.377 454576.879 386301.552 34984.58702 464900.76 466517.6266 292918.3105 14472.06011 447857.6258 353431.1557 286040.3014 15879.31459 431116.7029 702471.8204 293944.9189 27148.88626 1352420.051 1638819.006 1393620.347 0 347313.4885 636689.3307 350921.7567 13771.55682 459886.199 611611.6694 270597.3951 15859.0062 377157.2533 610151.2973 307596.8195 26357.45216 361767.0401 679928.79 318322.2873 11570.97672 307719.5702 580070.0789 237584.7838 24441.10098 1172056.999 1525820.957 1609176.522 11963.6162 385263.0072 455399.0034 287574.9058 12682.02978 388408.8263 745532.3439 273938.6967 16795.92397 470383.8007 620830.0891 304305.6092 10978.90716 374523.241 682990.9496 264372.9426 31079.79152 1197184.098 1641415.466 1410458.195 19386.08318 398068.5982 410965.3883 352513.1294 16467.50438 330191.2249 682057.1163 263311.1362 20733.10018 428970.1446 672318.8548 264159.1924 9376.594012 429072.2315 695114.5562 295518.2943 28382.48671 988044.368 1604251.938 1101742.336 2-C-Methyl-D-erythritol 4-phosphate 98659.70894 181511.9507 123496.0833 265890.3868 150641.9193 135469.944 89252.46587 136985.5881 140738.8142 85867.86928 97327.14612 99871.3933 118867.7582 96376.72633 146121.6597 86767.53694 173577.6023 227668.4982 249611.2554 153164.8957 133612.6776 194592.5045 160322.0561 194833.3197 249415.1787 160305.6283 130013.6405 160468.1361 165537.53 100502.2542 223699.6938 103950.7029 100453.8188 172731.955 116391.1228 97237.16572 69636.86985 55785.55726 87600.09946 70507.924 240445.4667 185148.644 338288.4133 241593.7135 87251.05486 222208.4677 128751.7778 131654.0046 74174.64981 91670.03552 151667.0097 135456.6325 116331.1311 82308.94639 94196.50537 136809.9739 108111.3356 64808.11593 201209.4337 83637.35797 216412.3602 217448.5407 354699.9184 235208.9073 173591.5979 191677.2233 157182.5135 272330.9281 165878.6081 82525.88445 133002.1295 120930.1842 141200.7163 138885.2271 84778.38848 73085.64538 173423.5147 93270.19702 211435.1564 78993.0504 213639.0917 173809.9947 387652.8528 147887.0172 (S)-1-Pyrroline-5-carboxylate 28173.99814 134351.41 233169.954 22017.24096 44207.70091 143489.8296 322333.7855 30020.08106 26569.26341 78559.56193 146633.457 20826.59504 36653.46896 57260.97142 144698.2516 25800.00065 29439.06382 301339.519 993133.6284 203796.5004 26486.26907 108070.0812 436210.7967 25932.29532 59197.8409 135229.6804 380952.9423 29359.00586 30110.15437 76682.73403 276020.5689 32075.22796 26429.8766 31594.8674 178059.0969 46943.47521 29777.00196 21958.73787 110589.4135 32989.199 16842.12237 265143.1397 937792.6645 226180.244 26311.51688 114096.1811 321863.1487 33416.31186 13421.73769 69810.88325 269526.9412 39270.30979 32119.10788 55486.69059 147118.1784 24831.05566 16544.30967 50290.37587 103677.1999 27111.74828 26042.37965 288983.7971 821039.2077 188349.8718 77891.45486 129767.0138 309016.2228 29063.04868 26732.97131 72210.60726 279078.3559 24328.04645 35118.15667 50060.72266 131561.3781 29638.40102 18371.85171 40830.92255 116343.2746 24156.81152 18231.80211 181704.7783 826818.9653 145235.6287 Urate 194096.948 1289628.035 1571575.147 0 208028.077 731779.5994 929816.6696 0 51476.81689 187773.998 183304.0327 0 16171.13316 38689.20839 70738.88649 5830.18901 39600.00151 105401.6669 130479.944 95256.49147 223728.734 1186355.478 2399199.148 0 215817.0168 611103.8788 1174412.567 0 71672.75572 193052.1467 409943.6675 0 12869.96767 29882.77792 73766.16127 0 0 20718.92925 36863.79828 0 29895.3285 77546.83851 124756.9039 106790.2074 186668.4179 1241660.943 1764424.876 0 25345.86325 197671.4008 449655.3363 0 12256.82883 35715.79346 64586.01849 0 0 19778.63742 53970.20203 0 39305.11143 88337.58976 153332.4368 104439.0484 225263.4422 1221777.954 972479.643 0 228070.1679 169738.579 415705.5252 0 20566.98834 30537.6203 64899.36883 0 0 22762.52472 48745.44926 0 33623.59394 72862.03172 150265.3801 81401.48684 Glu-Asp 184262.6921 193294.5394 120080.7719 254610.6631 344350.1892 235053.0846 143345.7487 225026.6609 289568.41 169140.1224 93058.49984 204714.0703 223029.7189 116394.36 177620.3684 124372.6328 0 0 0 40766.08668 136327.8067 112126.997 211673.7934 306644.6639 310865.8005 186104.639 224884.1186 207081.1409 346163.0983 157120.3263 180718.2302 209271.4124 353422.6644 216962.101 267842.4492 227766.9837 210187.4912 217721.4128 273291.0458 246505.6302 15534.04172 0 11830.24825 30087.67799 165345.4088 122451.903 110798.9558 231505.0617 170066.7188 168557.4887 266560.998 207837.6306 277400.5829 179894.0727 242218.4643 161516.4317 189894.2162 187035.1213 248892.7446 123588.5767 13774.11265 0 0 40261.34134 264630.9028 127810.8691 0 275622.691 367231.6763 139260.459 196027.415 196159.2253 342842.0872 178561.509 234100.3104 168060.2075 126862.5618 154797.3701 253771.418 130678.8655 0 0 0 25123.19934 D-Glucarate 54049.47891 82657.30628 82316.99114 59891.10724 79850.65769 109089.4552 78390.33559 43601.14599 64210.61704 96981.60968 62112.48104 47423.56595 63419.43394 108053.9834 150845.0971 50165.86665 58599.86505 125838.9294 176686.8362 130081.3913 33003.6932 56641.59199 145078.3061 57500.22649 63414.85289 87539.61396 160065.5837 46208.78225 74589.97446 95703.08355 130019.3563 50265.24296 68537.67675 85061.92474 148119.1091 38897.62886 25889.45895 72470.47227 162175.2897 48097.66386 40548.51617 123887.49 111340.0627 168871.1168 41808.23362 70352.98132 74086.46716 61106.44285 27723.24732 90912.19689 155287.22 45855.04372 70984.94452 129439.8472 157512.9256 48897.66858 37993.28774 89389.29175 176836.0664 40632.69614 68057.00743 122088.0364 170725.9011 162846.0334 65754.62809 68057.30335 76784.76755 61718.92084 65402.62955 65232.3964 141734.2045 47791.38538 71412.21907 102044.5985 136732.342 57509.66684 35504.99751 98653.13915 166065.7343 50998.97535 49599.19341 104050.2956 167077.4515 100955.8022 PE(36:1) 156198.7988 214141.0002 202637.2068 290632.5883 138633.0186 149748.4588 159737.4189 210292.3791 122023.1544 185203.9897 259466.99 257567.2374 149869.5727 159509.1549 385241.3021 260101.7451 108957.9493 143740.1463 239625.4665 139083.631 191738.4092 219015.5232 323217.5066 307767.1229 151395.6379 181732.4467 287411.7864 246526.3403 123619.2092 176469.8405 163712.8933 275232.1338 139217.678 250764.7403 402504.8291 251792.725 173627.3691 286328.6329 304692.6525 239564.4327 87952.27068 145964.4084 328592.5186 134804.8586 137976.0364 189809.2885 259565.8872 242936.3567 153498.276 183059.3581 290852.5576 283557.7316 134398.5954 232877.6635 413718.5173 255899.7666 121158.3902 224602.8526 343805.6186 250454.2295 101285.8358 140763.425 341875.2327 134392.9987 227495.9814 234973.5325 170015.2279 264149.181 104334.9513 283193.6203 188448.3569 292825.3099 116130.59 192504.3567 205443.2897 275387.3239 120859.9385 226807.1753 445740.1013 255414.1388 93254.86419 184035.2092 310243.1861 161562.2915 Avenic acid A 180268.5948 113104.883 335433.2083 122891.4985 166532.9559 117282.1004 94441.96721 149721.4171 171863.9584 111077.7673 79251.34318 127392.5592 180774.7727 101165.3994 122272.1913 131211.2642 110907.9115 114927.3634 129423.6423 95530.84619 110980.1259 89838.08281 462214.7127 162635.4763 164093.22 102692.7052 148129.841 122424.1917 146783.5118 99809.85457 106461.1045 127023.5363 166480.4629 93562.78445 100588.6975 140348.396 89820.98291 84947.63375 109153.7849 135718.3859 98523.71634 95978.74157 115472.948 105875.6011 114574.7272 118051.6047 308369.371 128931.6924 103862.4294 90918.62533 115974.1495 129886.5473 186076.466 101089.9713 110127.2477 130159.4881 170179.3593 112908.3166 125922.4777 139395.3511 120769.0916 78442.63852 91026.36231 120785.9936 177690.4116 106257.4882 315997.8953 141452.4909 134674.9605 91377.72855 102011.9781 133739.4423 173382.5892 96259.17073 118357.9535 141458.7624 112778.0502 113312.7623 109857.7323 149210.5877 103210.3928 79926.14583 103438.0531 83049.21611 Gln-Leu-Lys-Tyr 348757.3222 205679.6509 271372.6598 296368.0355 231095.4499 251357.6825 212642.2815 583535.8097 221534.4304 252687.5311 218705.4447 611382.049 243856.3711 300045.1643 287165.7292 643438.2642 245472.0334 189864.5076 282077.8107 536871.4104 293534.8424 328851.3258 254159.7994 476182.8559 211367.8169 290524.2879 220631.3357 551370.6815 231381.4774 269529.3299 243866.4613 650975.1773 228697.5839 243502.1917 249558.3666 665513.8572 294696.4223 245698.4516 266443.9083 783457.1359 171769.2096 182782.469 194162.9777 463093.3524 223274.3107 353166.9155 186153.7968 312597.8192 224345.9231 221026.3608 283260.44 548480.1039 243220.1675 251006.4937 238383.3033 676286.8269 235511.4143 259370.1147 224559.5201 644967.0558 191074.1855 204193.8788 250145.022 539463.1924 289219.9687 288276.7685 296618.7279 330753.5986 238317.4982 255664.9149 270569.8943 605750.9016 249328.7487 276180.816 227760.9939 720777.3934 276304.4309 288156.9971 246473.3572 743625.4841 227557.8876 204630.4383 244785.8636 492607.8415 N-Ethylglycocyamine 46792.27784 63874.20146 31620.55299 41048.19996 73733.81283 60048.40825 41224.23433 38642.38553 83303.77641 45097.69432 32494.17686 40212.66268 92913.16084 44512.70577 49859.61557 45102.28375 52539.56231 51035.42963 60402.89671 31786.96535 78077.33483 37603.25892 34420.25699 36838.84166 86932.23468 37758.65223 50263.34622 33752.9985 93144.81112 36995.30831 57762.07697 37912.64502 79815.65352 38682.76875 59462.72518 36581.06353 55552.12718 41271.45829 51538.84823 41846.50574 68711.69908 38881.77361 53005.41378 41115.68149 25812.20351 48194.55917 28318.53912 44351.28438 51711.42731 36577.8487 60264.62512 28230.31941 94399.53246 44797.89781 51881.47348 43567.33202 76174.85569 39174.23317 42630.33467 35617.04463 79605.28219 35764.6148 52563.92844 44352.09191 84644.70438 41521.54983 0 35298.47408 80866.83782 38849.46811 49240.76384 34178.85275 86883.6562 47475.83696 50333.98497 42287.80391 58539.96857 33418.11411 46436.21313 39083.70125 47679.02048 43171.29378 49135.92578 26360.66893 GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) 274352.9796 222404.6875 92890.19572 606414.1078 206221.3019 86786.47777 93206.64807 395077.3937 246160.9893 108450.5954 38040.83134 423548.7077 311109.4662 95882.33902 322077.5742 393453.1496 811247.1722 143650.5393 222342.289 404326.5904 417532.8616 360953.0694 267795.6014 561789.1134 302674.3784 129244.0799 206132.8133 422600.9015 194193.1282 88493.0737 102132.0929 431074.8519 242868.3138 148281.7392 241840.3359 452145.6333 427517.5112 115839.6322 230384.071 494276.1819 537827.5868 109974.0532 232509.2695 391619.8519 239772.1273 232143.5248 114356.157 661266.4245 196551.3606 135275.5302 241250.7611 431640.1119 138016.2328 118386.7802 275245.9666 392829.1039 130855.9733 119666.3774 241229.9691 455821.8961 183089.7163 114953.0942 246149.6109 419611.1928 209696.5595 233940.7827 1336996.28 550510.4609 318539.7405 123528.4921 132570.4154 446856.8417 232546.1517 113176.4561 95577.12166 429603.1188 209875.3746 134762.8644 354727.6674 411810.7763 660948.0344 581286.964 301856.1292 322627.6645 N-Acetyl-D-glucosamine 6-phosphate 260030.4932 371813.5219 264850.9807 365231.1143 419508.8899 411092.2017 276316.0435 312560.6061 440514.3654 353972.2057 230963.7576 362030.7977 423467.8867 379922.2331 437522.6674 323297.7198 249206.1797 394760.7056 454866.9794 257408.7555 234186.8362 296072.7679 381046.4044 368395.2338 426048.6937 349138.3344 436954.7059 378354.0114 427929.0734 347967.4317 389951.1196 346078.146 441614.3208 316319.7174 416175.9019 400179.2851 187216.6471 256104.8261 439294.004 402266.224 234185.5203 309845.6812 419604.7929 382695.224 74089.15421 324340.7152 271413.5441 336139.8976 260781.8718 322462.0397 440580.5348 340174.3647 437828.9614 375684.3963 386055.2698 391156.4619 288765.55 314213.6677 484619.421 342421.2135 276317.6239 357913.9721 380252.8041 305328.7654 402285.3453 320338.4547 338244.0145 390478.6077 474728.8868 265683.7612 425279.5299 340118.3985 478937.3866 355411.232 469607.0757 369579.4583 259724.8971 397301.955 427576.5133 364610.6007 206470.9062 292872.3062 460371.9056 223074.5181 D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose 16166.91474 14087.70723 14961.7749 12480.58903 26340.41187 22773.24168 8519.873185 16954.92881 33154.61458 10324.35851 8946.786403 16060.17923 53835.59203 9475.215041 18635.57969 9756.800936 48506.64523 39645.46783 36153.31387 80064.07074 15149.52103 0 18725.68283 12577.85448 34687.32789 9590.296518 19538.52532 17626.28082 39411.05669 8084.435342 8100.752339 9386.589602 25907.25127 8794.992972 0 16596.6029 11501.8268 0 11504.88096 0 45327.73989 30988.97124 33356.35693 94912.18973 15113.35399 11129.5053 0 12480.03153 12687.336 0 11016.98307 9233.873727 37955.73452 12677.53784 9447.015167 18420.60704 23302.93227 11151.45026 9786.88809 9449.378424 59936.53945 31206.90871 34048.17973 88752.60082 20367.33082 0 0 0 39181.64113 0 23147.10746 9658.300235 51656.00322 8866.030766 11086.51991 8910.071449 21008.80104 0 20199.23105 8993.168677 43915.0275 26948.17878 39684.384 78046.49506 2-Dodecylbenzenesulfonic acid 2077068.169 1216912.404 689322.2892 501150.8915 485415.6614 1064269.126 1105763.129 2328563.581 270863.0747 883087.7081 1759737.714 1266121.871 376941.1196 1103636.422 594567.0842 295372.9268 803753.0811 1178765.207 407668.61 1155417.316 2077307.498 3173627.675 854955.3281 420863.093 633479.0605 1423264.116 584527.1145 599221.8033 372555.614 1246876.349 1229695.951 360095.2293 268586.8097 1063762.012 604206.3945 677825.3411 680813.9419 1253426.088 643366.4149 464084.6958 1020814.106 932460.7489 511766.2938 479065.5825 1899467.124 1223972.258 631201.352 873749.038 561139.8498 1252594.341 752893.6501 347344.0301 263686.6065 1330445.171 843503.8839 413543.5831 645076.0644 524088.0509 700831.3899 491188.8651 566504.9684 987820.6979 635569.7017 705649.2397 1218275.797 821390.7299 697654.0531 419200.6446 319481.664 1415941.539 1135714.764 776706.1188 285444.6177 1785018.673 738563.3717 594383.9936 504250.8239 1281081.41 484703.7859 672797.216 720032.865 952091.0886 780395.5527 323814.1062 2-Hydroxy-2,4-pentadienoate 260585.8801 243131.703 163923.1903 270569.8943 1464388.541 797835.6849 423232.8236 485230.5643 330258.3821 347356.8485 364371.0754 309270.8943 488654.655 427811.0279 594171.56 314039.7073 1007926.654 953759.9213 1163901.654 625279.6312 790700.9601 506385.9407 301022.3636 351061.0536 1326609.284 661100.5 493202.6866 437325.4326 651526.1506 419396.9238 772620.6533 394280.6936 687364.0337 724709.728 1001087.533 554972.7867 427277.6776 475449.2878 1147199.42 497620.5119 1363503.251 865809.9657 1276499.04 1316081.75 533306.1008 222380.4609 219050.9918 413845.5668 309239.9794 315915.5769 525056.9671 319862.9418 499167.5456 609073.6954 639353.1324 409551.4551 486892.57 282228.3777 971519.3096 356550.4862 1041414.237 949397.9055 1222017.436 913429.2226 982020.7651 317941.4236 276315.8843 243850.7483 515981.0994 501872.1495 662795.0473 358169.5061 610415.9746 742911.8062 538625.2375 440289.7443 842859.0069 509718.8651 852282.1216 419618.9736 1065687.461 616345.4986 1134656.483 705048.4826 1D-myo-Inositol 3,4,5,6-tetrakisphosphate 0 0 5810.537518 7701.651658 70023.56761 28661.83721 6632.061134 22709.90231 77180.97482 20091.17105 7401.676996 12488.84467 147139.3489 19525.55459 22943.13918 12995.20299 64385.47625 39230.03813 25360.89788 37678.64987 0 0 14649.65212 0 106211.5123 17555.05441 22194.70706 19479.34018 96530.89613 21939.61133 19486.36423 21330.99724 101194.9488 11153.15055 27125.13505 14745.15753 19720.77401 9061.127946 33225.52601 21138.17991 47747.19805 37641.49822 33059.41723 61161.49208 0 0 0 12219.96435 36337.51684 10998.2859 21314.3792 12746.59477 134098.1012 31104.87649 21186.20901 19455.8438 28388.86228 10092.11224 30396.6832 7872.548795 90257.36857 28056.74377 25016.41083 43790.20261 0 0 25588.67419 9158.290727 115149.9222 7285.931866 20227.38043 6429.944559 163411.1559 26951.36714 19423.01909 15040.50797 34226.90959 20932.57074 42411.51513 20388.87244 35092.05574 23850.19776 35347.49905 32823.84558 D-Mannonate 6473346.206 7440368.374 4407432.817 4006446.736 13192653.99 8955241.764 4409537.82 5046121.23 15081717.17 7814473.715 3857404.544 4873173.233 16216957.67 8245675.948 6989390.803 4400895.958 2659553.939 3667501.46 3736397.104 4130151.841 7250518.626 6595152.908 13318526.49 4393224.396 12822270.86 8485488.553 7368250.889 4090787.537 14917171.05 7044053.09 6971354.356 4353680.576 13607819.8 7811375.198 8346237.942 4768518.992 6407761.801 5929773.459 6574807.783 3967354.315 2574921.554 2787622.815 3861205.81 5227274.345 8430341.759 7270089.374 4335153.02 1979680.317 9226805.165 7593550.138 2286117.206 4339682.416 15405971.95 9367348.464 7242300.635 4600177.769 9051266.087 7811024.577 7424101.11 4131494.267 5988672.439 1271193.309 4033239.632 5330427.532 6082647.904 1406852.607 4020483.315 1785622.698 15831034.39 6883435.853 7083572.451 4655975.793 17526625.87 7660301.006 7076461.519 5352321.505 8209104.494 7932135.566 7683113.855 4392306.732 3843897.708 2434484.57 3866293.428 3181321.575 D-Galactose 333098.5242 277893.8741 209713.6443 323408.3192 2170459.847 1128971.507 580653.9915 617705.2918 396720.7703 439461.8242 483168.1953 457395.6298 574923.9233 599597.8753 759553.7659 459560.1783 1463408.493 1349276.866 1504148.767 851595.9331 1332782.173 712276.8896 323756.8642 537541.0829 2033457 1087379.057 708480.0312 321526.8456 769007.7853 590417.2475 1088871.546 525754.2066 934934.5579 1067103.022 1564137.287 837632.4384 623004.2161 665697.2291 1891538.9 706424.3546 2270137.035 1255880.862 1812657.776 2019267.342 754903.5541 267977.0936 317618.5118 480496.1754 416973.7423 409755.2043 719298.697 419721.6496 665318.5011 905649.9143 1015473.036 630101.7014 672674.5931 322304.2122 1335657.804 518531.2884 1311041.536 1263705.306 1857921.379 1361397.754 1617482.283 449907.0642 960799.3337 310279.7167 578976.5934 690889.2655 920566.612 509145.1057 773184.0174 968983.6743 716340.8234 679840.4517 1428632.739 570747.3147 1361137.894 633755.4291 1598125.712 927109.866 1725301.257 1092362.88 Arg-Phe-Phe-Arg 258022.5026 97437.96933 64846.6268 371131.9891 310512.6576 124786.3273 95158.08171 651232.8401 304800.3846 112228.7984 88737.99387 671394.9555 270314.7745 139062.9552 151667.7208 612063.4999 370202.7478 184883.1757 145509.9121 596578.5934 312112.5831 92075.16499 95042.80054 695684.2558 303345.8224 129323.8371 126302.0131 698716.1529 295460.3141 126405.3716 120691.4278 636887.8812 251338.4161 125404.8457 187313.4906 635643.1834 225674.2359 88073.54081 154499.367 577679.5966 319407.9388 138693.7554 153966.4698 756407.4241 229700.2703 100070.057 89620.75855 348136.3624 264799.7504 101618.6504 130744.1078 648076.8561 293611.0026 146921.6473 169038.6415 710397.1881 237123.9974 111371.413 147888.7313 530593.2065 282079.4361 151913.2243 178374.3033 642390.5572 324532.7462 92093.35208 0 333967.8804 315321.8756 99140.03694 115778.0305 692235.7621 314752.3568 146985.8854 133950.7618 688182.9707 278001.605 170852.3953 148545.4271 671931.4133 322015.2119 176266.4384 158152.6061 543159.9683 Glu-Ser-Thr 146361.8595 71666.26093 67939.68405 106398.1035 528448.3625 247210.0144 164156.2368 141123.2361 108189.8028 85995.95947 142575.1452 93648.3311 166001.6068 102357.1533 125281.8924 71410.17144 284705.9391 252185.0325 341473.8921 198118.4115 472654.2852 224684.2642 80244.34887 170119.2561 533083.184 232908.1848 191183.8788 150038.4119 262340.471 119388.4474 249237.6702 120223.2479 285402.4745 213662.6866 270759.962 226589.7932 346384.7332 151679.5603 293626.4458 177939.405 419275.5059 282661.1525 290901.0406 396818.8316 226533.289 61490.00884 111136.9488 180552.9138 175868.8334 84729.31954 167852.1948 104063.4235 179785.8089 158038.0832 182215.0342 115762.411 215141.5916 60863.90581 203247.8909 99220.58247 254693.0902 262457.795 293811.0821 276173.701 458374.5618 99301.31094 104055.5985 114414.3819 185022.8271 196792.3388 201731.6644 146688.5383 189318.7328 178317.9872 143250.3279 139181.5147 448090.2412 110114.4452 189652.608 154411.5234 400207.8247 192675.1249 326495.5867 287660.5064 PE(12:0/18:4(6Z,9Z,12Z,15Z)) 89280.46726 55530.80891 0 360330.2247 71818.27954 39321.31495 17253.85424 250198.3167 123808.0696 34667.02354 0 276408.3684 145967.6556 53517.98919 137885.4208 270737.1727 317402.0352 60556.8079 84270.15624 220694.7905 141716.9652 122351.9833 101878.5436 436202.1547 117819.6675 38946.08585 103003.5522 262005.5813 111760.6813 50542.23012 59602.25919 251993.0922 105447.0168 50860.62004 68033.78033 265969.2677 161519.0086 15514.49526 81670.97113 247616.1236 206823.7355 38197.20553 59548.74594 234102.8613 69706.05334 96135.26329 17847.1217 335427.8647 61931.67919 46436.81071 108002.7988 289926.1356 51642.26379 21776.89668 128343.6982 270569.8943 30775.23961 51757.71755 70496.18053 290176.5188 62163.35559 34230.60515 91738.88405 209877.6807 89386.32535 105274.0799 482080.6246 424092.5117 137518.2764 43084.83793 52116.33934 286300.5359 169410.188 39598.97575 27401.50595 314870.8418 60686.8252 81430.8361 82031.33017 265846.3561 208018.1915 169249.7379 128543.4612 180916.537 N-Undecylbenzenesulfonic acid 1849774.6 1213449.202 779234.1436 510084.1433 542136.7281 1084119.833 968857.7222 1856522.323 307548.5269 962638.9075 1690893.278 1216032.671 492176.563 1169934.176 733762.2557 286069.5268 871060.8553 1126547.366 439304.3055 1064768.056 1743599.076 4456759.79 738356.9643 430905.1037 744326.479 1462413.935 631817.4698 493924.0809 409805.8541 1158673.758 1237296.045 503164.3368 293693.0955 1068329.725 766086.5045 604724.354 630201.5285 1146756.145 656012.1815 488752.4509 1041583.796 1174831.914 551045.5529 488769.718 1561849.218 1281707.971 641214.5369 709792.0816 505096.4595 1490310.392 821007.1307 352567.6657 329251.5764 1514046.428 898397.2577 463459.7061 698979.8896 493263.6786 774918.5699 566847.4142 611378.8044 1135629.299 647897.9618 733380.3605 1122513.386 782965.8584 659917.3642 445243.842 301387.8617 1508322.643 1090091.656 747032.9482 358671.2475 2099393.382 843865.611 631781.6597 520968.0021 1526251.922 490164.724 708946.9682 776749.8737 853641.4128 826443.7557 344996.8047 PIPES 1815642.586 1805850.064 988019.3019 441902.4856 2213173.155 1919746.127 994144.8058 1828597.693 2368962.374 1516817.12 861945.213 1226729.099 2320251.901 1430492.622 1608143.669 1903925.569 933481.1788 1324072.627 1695160.944 1229315.126 1075420.813 1354633.771 1717919.914 2666043.873 2218050.507 1472776.916 1312710.746 1903740.914 2398476.345 1318512.639 1464160.8 1768773.48 2283347.03 1369060.929 1668331.451 1984322.577 830738.2704 1180860.651 1665958.055 1951415.784 790431.9672 1425363.433 1733888.421 1547844.214 1240687.93 1576544.566 1064302.812 265962.0667 1279801.127 1501885.728 1654271.159 1651557.877 2306180.465 1836287.007 1557568.601 1968713.451 1483003.822 1394235.816 1621069.445 1867832.989 1261828.345 1218976.948 1798820.771 1672235.612 2738893.625 1538004.19 1079234.208 1282026.039 2356758.266 1107257.194 1622054.191 2226149.645 2611730.941 1561906.323 1584748.911 1978203.666 1068093.263 1616398.921 1755166.139 2038655.746 834338.2631 998123.2435 1638993.83 1003288.517 PIP(38:4) 80717.75463 249665.4331 225877.2393 93331.00848 119431.0585 327511.4176 217510.8372 217989.8138 83189.22017 235724.1126 185789.1907 185836.3524 74538.08692 210792.2658 241524.6516 134131.691 109993.7434 313771.7448 627581.4914 262474.2645 92786.79749 246698.3281 443548.2056 157696.4228 128328.4757 383801.3507 473640.1393 213993.8835 97626.82297 233154.2666 79396.75468 170114.5515 103061.7149 214251.0523 260076.5475 183685.0259 68240.99253 217039.7866 293405.1269 92583.25251 191936.8198 569166.8124 713810.3334 358255.1174 53116.17185 231363.9333 179492.1648 140484.0045 146369.5946 271597.5415 235610.6769 156022.5724 67377.42177 117284.5277 261098.2112 143265.225 79734.24296 254686.6376 417671.6535 72389.40882 177050.6226 330589.6139 546862.3681 311184.9787 102420.2302 212970.2002 158513.3996 109205.259 99928.14821 328424.0404 180610.0088 163041.683 29861.59967 212215.2779 77496.83606 148923.7776 92494.68841 192124.1868 270057.4899 169444.0732 208922.2721 292255.679 362112.2443 331282.5132 PS(18:0) 53108.84524 67483.11514 65141.64987 101199.5057 81692.73717 86451.84593 47441.57247 97346.89879 78575.49608 68463.76623 63408.87271 85099.91932 55802.03851 121425.658 185704.1239 75397.53192 85514.99859 96478.24701 223898.5648 58711.45576 90381.15036 68775.88413 142163.6912 103949.9188 64726.24173 68075.8013 227419.0986 92907.2894 78827.99171 107089.5767 140048.3309 96373.74436 76610.55837 103551.96 197958.3606 79510.80786 87196.65986 104940.8262 189223.0019 82400.03976 80973.47895 97303.97944 176977.2501 68201.84521 45481.68675 62372.49272 46568.89413 100725.2007 44371.42504 98685.07708 164633.2194 95885.90061 100066.2957 157510.2081 185742.0159 87836.35166 59879.98619 89585.92939 207527.7997 77740.35269 59772.37551 81056.46641 192808.4188 65795.69833 99729.87275 48230.35142 83081.06089 91392.54543 61723.49601 87606.16003 175359.0644 85953.14632 82704.73334 214675.1316 166622.3927 85032.69958 61379.39971 106260.2967 186681.1423 81490.24931 122876.0198 57403.52294 166418.7344 50796.44175 Glu-Lys-Lys-Phe 348757.3222 287914.3121 271372.6598 250034.5801 226580.1596 251357.6825 212642.2815 583535.8097 221198.98 252687.5311 218705.4447 611382.049 216992.7107 162005.8798 190449.8635 284493.688 245472.0334 160319.8371 201081.3439 536871.4104 293534.8424 328851.3258 254159.7994 476182.8559 150105.4943 185178.7883 160297.7273 372103.6774 224882.4371 212520.1042 243866.4613 650975.1773 228697.5839 226030.1788 206041.877 665513.8572 294696.4223 245698.4516 206732.0519 783457.1359 171769.2096 174290.8729 193758.6435 463093.3524 166714.9088 165270.6341 188144.5322 202086.3492 224345.9231 188258.4385 283260.44 548480.1039 92800.14617 174731.7018 176392.9911 439584.1104 235511.4143 235509.7356 224559.5201 644967.0558 191074.1855 147063.8029 192014.8864 269924.9518 289219.9687 288276.7685 296618.7279 330753.5986 238317.4982 255664.9149 270569.8943 605750.9016 233380.093 240779.4974 227760.9939 720777.3934 97352.96276 179428.4169 162598.1197 434118.0573 227557.8876 204630.4383 195020.0354 492607.8415 nicotinamide guanine dinucleotide 0 0 0 0 35549.80035 22157.44815 42261.44186 20029.46467 0 28743.59817 14861.43091 32823.2091 0 0 24552.90208 0 39256.83743 95669.90969 94242.87747 222894.6995 0 0 0 0 34598.74 21262.70832 49758.85328 16341.66753 32255.71809 0 40197.30025 16084.84309 0 0 21300.67303 0 0 0 37213.55408 13198.21446 49144.3351 69749.23065 82331.72312 218128.3771 0 0 0 0 0 0 47693.56421 0 45615.22299 0 21091.7376 16584.02376 0 0 22098.3586 15306.60501 60853.52956 71539.4319 112857.3714 200704.2058 0 0 0 0 0 0 47365.88245 17547.12381 35352.39573 0 39893.70941 18025.63244 0 0 22745.21081 32597.2377 41716.81838 73147.74099 86340.6072 152874.1032 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention time mass KEGG ID HMDBID Lmid InchiKEY Linoleate 3.958935582 280.2403128 C01595 HMDB00673 LMFA01030120 OYHQOLUKZRVURQ-HZJYTTRNSA-N Dodecanoic acid 4.138296822 200.1776426 C02679 HMDB00638 LMFA01010012 POULHZVOKOAJMA-UHFFFAOYSA-N [FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid 4.056940532 296.2348722 C14825 HMDB04701 LMFA01070018 FBUKMFOXMZRGRB-SQGUUQMOSA-N Succinyladenosine 14.29241285 383.1084695 HMDB00912 VKGZCEJTCKHMRL-VWJPMABRSA-N D-4'-Phosphopantothenate 14.89827429 299.0769318 C03492 HMDB01016 XHFVGHPGDLDEQO-ZETCQYMHSA-N [FA (16:4)] hexadecatetraenoic acid 4.256809768 248.1773951 LMFA01030163 IVTCJQZAGWTMBZ-GFRMADBLSA-N FA hydroxy(18:0) 4.071562468 300.266368 LMFA01050054 KIHBGTRZFAVZRV-UHFFFAOYSA-N FA oxo(18:0) 3.9976045 298.2511449 HMDB10736 LMFA01060060 YQGGUZWHNVQJMF-UHFFFAOYSA-N Tetradecanoic acid 4.054904297 228.2089375 C06424 HMDB00806 LMFA01010014 TUNFSRHWOTWDNC-UHFFFAOYSA-N [FA (20:1)] 11Z-eicosenoic acid 3.896584853 310.2872243 C16526 HMDB02231 LMFA01030085 BITHHVVYSMSWAG-KTKRTIGZSA-N FA(16:1) 4.000294578 254.2248533 C08362 HMDB03229 LMFA01030056 SECPZKHBENQXJG-FPLPWBNLSA-N [FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid 3.9717036 278.2247535 C06427 HMDB01388 LMFA01030152 DTOSIQBPPRVQHS-PDBXOOCHSA-N (S)-2-Aceto-2-hydroxybutanoate 14.26764648 146.0579228 C06006 HMDB06900 LMFA01050383 VUQLHQFKACOHNZ-LURJTMIESA-N Bakkenolide A 4.268384757 234.1618989 C09350 OVXAYHNZXBOVPV-QMGNLALYSA-N FA(16:0) 4.016006233 256.2401836 FA oxo(16:0) 4.059345605 270.2194646 LMFA01060050 ZVNHILZUTNYFGT-UHFFFAOYSA-N D-Fructose 6-phosphate 15.61239304 260.0296287 C00085 HMDB00124 BGWGXPAPYGQALX-VRPWFDPXSA-N PQQ 15.50423699 330.0123548 C00113 HMDB13636 MMXZSJMASHPLLR-UHFFFAOYSA-N [FA (18:1)] 9Z-octadecenoic acid 3.942102035 282.2559406 C00712 HMDB00207 LMFA01030002 ZQPPMHVWECSIRJ-KTKRTIGZSA-N FA (20:0) 3.912773355 312.3030868 C06425 HMDB02212 LMFA01010020 VKOBVWXKNCXXDE-UHFFFAOYSA-N 4-Nitroaniline 7.706277522 138.0429774 C02126 TYMLOMAKGOJONV-UHFFFAOYSA-N FA hydroxy(16:0)] hexadecanoic acid 4.139920237 272.2349852 LMFA01050047 JGHSBPIZNUXPLA-UHFFFAOYSA-N FA methyl(14:0) 4.01691574 242.2247397 C16665 LMFA01020008 XKLJLHAPJBUBNL-UHFFFAOYSA-N Indoxylsulfate 7.647591718 213.0095381 HMDB00682 BXFFHSIDQOFMLE-UHFFFAOYSA-N PS(40:8) 3.774513512 831.5058642 1,9S,11R,15S-tetrahydroxy-13E-prostaene 3.910972458 342.2766197 LMFA03010173 PZXLDAYOXMEITH-YYFRNVAQSA-N Decanoic acid 4.282984872 172.146321 C01571 HMDB00511 LMFA01010010 GHVNFZFCNZKVNT-UHFFFAOYSA-N D-Fructose 17.00370657 180.0633809 C00095 HMDB00660 RFSUNEUAIZKAJO-VRPWFDPXSA-N FA (19:1) 3.942764493 296.2711529 LMFA01030083 INKQLYSQWHBEGS-ISLYRVAYSA-N alpha-Irone 4.293084262 206.1670177 C09690 JZQOJFLIJNRDHK-UZPJXDOOSA-N 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose 15.95196272 326.1213524 C08244 VSRVRBXGIRFARR-OUEGHFHCSA-N D-Sedoheptulose 1,7-bisphosphate 17.90499548 370.0065229 C00447 OKHXOUGRECCASI-UHFFFAOYSA-N Digitalin 14.95920093 712.3664012 C08862 LMST01120015 CKNOLMVLQUPVMU-YMMLYESFSA-N 4-Hydroxyphenylacetylglycine 7.637813355 209.0688421 C05596 HMDB00735 CPPDWYIPKSSNNM-UHFFFAOYSA-N 3-deoxy-D-galactose 12.28132603 166.0841226 RUIACMUVCHMOMF-HSUXUTPPSA-N D-Glucose 6-phosphate 16.5430085 260.0296297 C00092 HMDB01401 NBSCHQHZLSJFNQ-GASJEMHNSA-N (S)-Malate 15.72568507 134.0216073 C00149 HMDB00156 BJEPYKJPYRNKOW-REOHCLBHSA-N Octadecanoic acid 3.98889273 284.2714547 C01530 HMDB00827 LMFA01010018 QIQXTHQIDYTFRH-UHFFFAOYSA-N Bendiocarb 4.499612745 223.0842356 C14433 XEGGRYVFLWGFHI-UHFFFAOYSA-N N-Butyl-beta-carboline-3-carboxylate 4.873222873 268.1209602 C13805 WGNGIELOOKACSB-UHFFFAOYSA-N Erythronicacid 16.07137807 136.0373377 HMDB00613 JPIJQSOTBSSVTP-PWNYCUMCSA-N PS(38:6) 3.781855857 807.5054603 PWBBJQOVCTWPIM-FAYDGCQZSA-N N-Carbamoyl-L-aspartate 16.39767794 176.0432846 C00438 HMDB00828 HLKXYZVTANABHZ-REOHCLBHSA-N PS(36:3) 3.796548765 785.5202084 MWONMGIZXLAUBR-KSXMTAOISA-M Tributyrin 4.30473425 302.1731856 C13870 UYXTWWCETRIEDR-UHFFFAOYSA-N PG(34:2) 3.685241742 746.5102664 LMGP04010485 OKLFBFZTIAAQCG-OPIKARGUSA-N 9-Oxononanoic acid 4.941651432 172.1100248 C16322 LMFA01060160 WLGDDELKYAWBBL-UHFFFAOYSA-N N-Acetylornithine 13.49308435 174.1004122 C00437 HMDB03357 JRLGPAXAGHMNOL-LURJTMIESA-N FA methyl(8:0) 4.415392412 158.1306801 LMFA01020002 GPOPHQSTNHUENT-UHFFFAOYSA-N FA (17:0) 3.95545378 270.2558756 HMDB02259 LMFA01010017 KEMQGTRYUADPNZ-UHFFFAOYSA-N Docosanoic acid 3.866781172 340.3339549 C08281 HMDB00944 LMFA01010022 UKMSUNONTOPOIO-UHFFFAOYSA-N PI(36:4) 3.804218128 858.5259291 QQQIZZJWFPGZFU-XZJTVJSISA-N PI(38:5) 3.78940113 884.5418554 WMVAOBOFQHVKTL-VEAQMIGASA-N PA(34:2) 3.79387804 672.4734442 LMGP10010023 PS(36:4) 3.79645935 783.5055032 ZTNFQEXYTMNFHG-SOFXVBFTSA-N FA(24:0) 3.827188245 368.3654032 FA methyl(12:0) dodecanoic acid 4.094069832 214.1933188 LMFA01020005 YETWOCQNUTWSQA-UHFFFAOYSA-N D-Ribose 1,5-bisphosphate 17.29895593 309.9855699 C01151 HMDB11688 AAAFZMYJJHWUPN-TXICZTDVSA-N Hydroxymethylphosphonate 14.32765943 111.9925518 C06455 GTTBQSNGUYHPNK-UHFFFAOYSA-N PS(36:2) 3.797960262 787.5365862 AGTPCXBHIGMTEU-NREGDSCDSA-N PG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.640465322 814.4796551 LMGP04010455 BMKGVIWEXORLPR-NHCONJQASA-N [FA] Methyl jasmonate 4.401349063 224.1413726 C11512 LMFA02020010 GEWDNTWNSAZUDX-WQMVXFAESA-N FA methyl(16:1) 4.0033186 268.2403969 LMFA01020203 DINXWFVSXJCVPK-JQIJEIRASA-N Hippurate 8.242796178 179.0581896 C01586 HMDB11723 QIAFMBKCNZACKA-UHFFFAOYSA-N PG(36:3) 3.673761795 772.5252873 AQIAGGRCCDLKEY-MUJLYBRFSA-N N,N'-Dimethylurea 14.15777593 88.06360877 C16364 MGJKQDOBUOMPEZ-UHFFFAOYSA-N 4-Amino-4-deoxychorismate 13.02271246 225.0635831 C11355 OIUJHGOLFKDBSU-HTQZYQBOSA-N Psychosine 4.739486625 461.3353185 C01747 HMDB00648 LMSP07000001 HHJTWTPUPVQKNA-PIIMIWFASA-N PS(38:5) 3.781534785 809.5210593 MGPMTJBAWDIKQN-GIVBSXOZSA-N N-Acetyl-D-glucosamine 1,6-bisphosphate 16.60484107 381.0226215 C04461 WBYIPZVSBSKNQR-FMDGEEDCSA-N 3-O-(6'-O-(13Z,16Z,19Z-docosatrienoyl)-beta-D-glucopyranosyl)-campest-5-en-3beta-ol 6.551115608 878.7003786 LMST01031142 2-trans,6-trans-Farnesal 4.4024093 220.1825393 C03461 LMPR0103010012 YHRUHBBTQZKMEX-YFVJMOTDSA-N PS(38:4) 3.777294042 811.5367364 IULWELDCBXQXED-DWOSIAKHSA-N FA hydroxy(10:0) 4.561973608 188.141128 LMFA01050029 GHPVDCPCKSNJDR-UHFFFAOYSA-N (R)-2-Hydroxyglutarate 14.87293344 148.0372124 C01087 HMDB00606 HWXBTNAVRSUOJR-GSVOUGTGSA-N LysoPA(16:0) 4.841868267 410.2429147 PA(18:1(9Z)/0:0) 4.814119837 436.2586248 C00416 HMDB07855 LMGP10050008 WRGQSWVCFNIUNZ-GDCKJWNLSA-N ADP 14.86599087 427.0293477 C00008 HMDB01341 XTWYTFMLZFPYCI-KQYNXXCUSA-N ATP 16.0186724 506.9954488 C00002 HMDB00538 ZKHQWZAMYRWXGA-KQYNXXCUSA-N 2-Deoxy-D-ribose 5-phosphate 14.56986387 214.0242862 C00673 HMDB01031 KKZFLSZAWCYPOC-PYHARJCCSA-N Ala-Met-Asp-Tyr 10.26619466 498.1793165 PA(36:4) 3.777829498 696.4733263 LMGP10010957 (E)-3,7-Dimethylocta-1,6-diene-3,8-diol 4.280770632 170.1306527 C04433 LMFA05000099 NSMIMJYEKVSYMT-RMKNXTFCSA-N 3-phosphoglucarate 18.65096712 290.0038437 FJYQVOPLAANXAB-UHFFFAOYSA-J 2-Acetolactate 12.65981349 132.0423324 C00900 HMDB06833 NMDWGEGFJUBKLB-UHFFFAOYSA-N PA(34:1) 3.794063963 674.4884825 LMGP10010007 LysoPE(22:6) 4.626391672 525.2849997 HMDB11526 LMGP02050013 XEVRBOQZSXWGQO-PAUXXPOVSA-N PE(36:2) 3.995229972 743.546304 C00350 HMDB09026 LMGP02010034 VHHMKXOBDPAFKC-HWQBUQMOSA-N Hydantoin-5-propionate 15.23608559 172.0483269 C05565 HMDB01212 VWFWNXQAMGDPGG-UHFFFAOYSA-N PG(36:2) 3.77823662 774.5405737 CZVJBYZXTBYGJR-XAODMQRJSA-N 3-Deoxy-D-manno-octulosonate 8-phosphate 15.05235253 318.0351284 C04478 RTNBXJBOAIDPME-SHUUEZRQSA-N D-Glycerate 11.71263921 106.0266085 C00258 HMDB00139 RBNPOMFGQQGHHO-UWTATZPHSA-N PS(42:10) 3.759044367 855.5046245 KOIAYCUGSWJEHX-DQKFIKIFSA-N PA(36:3) 3.77727473 698.4883694 LMGP10010134 URUVXHGRYHVJHP-RGWCGLOOSA-N D-Fructose 1,6-bisphosphate 17.6274918 339.9958804 C00354 HMDB01058 RNBGYGVWRKECFJ-VRPWFDPXSA-N 2-Methyl-4-propyl-1,3-oxathiane 5.030609007 160.0920575 Cholesterolsulfate 3.73565122 466.3116188 HMDB00653 LMST05020016 BHYOQNUELFTYRT-DPAQBDIFSA-N PS(36:1) 3.798665343 789.5509881 AJFWREUFUPEYII-PAHWMLEVSA-N PS(39:4) 3.77247894 825.5523358 LMGP03010247 HKVBMGDYFMSDES-JEJCSLMQSA-N [FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid 3.902910697 330.2564096 C16513 HMDB06528 LMFA04000044 YUFFSWGQGVEMMI-JLNKQSITSA-N PI(38:4) 3.78698612 886.5571113 KRTOMQDUKGRFDJ-MWZLTEOLSA-N Miroestrol 14.49497399 358.1410935 C08831 RJKLDOLOCIQYFS-PRTISISMSA-N N-Hydroxy-L-tyrosine 10.33928742 197.068779 C03004 CNIUEVQJABPUIJ-QMMMGPOBSA-N FA (8:0) octanoic acid 4.57476943 144.1150088 C06423 HMDB00482 LMFA01010008 WWZKQHOCKIZLMA-UHFFFAOYSA-N dGDP 16.01722625 427.0294365 C00361 HMDB00960 CIKGWCTVFSRMJU-KVQBGUIXSA-N Sulforaphane 7.617120492 177.0281927 HMDB05792 SUVMJBTUFCVSAD-UHFFFAOYSA-N Cys-Gly-Pro-Ser 14.75706576 362.1263588 D-Glucose 1-phosphate 14.98764181 260.0296392 C00103 HMDB01586 HXXFSFRBOHSIMQ-VFUOTHLCSA-N Asp-Asp-Gly 16.79027927 305.0859041 N-Acetyl-L-aspartate 14.36088434 175.0480809 C01042 HMDB00812 OTCCIMWXFLJLIA-BYPYZUCNSA-N PE(P-40:4) 3.960117752 779.5833293 HMDB11391 LMGP02030061 TVTRPEJBOGUHBJ-IKHSQHJKSA-N ITP 17.44944598 507.9789487 C00081 HMDB00189 HAEJPQIATWHALX-KQYNXXCUSA-N Benzyl sulfate 4.502936445 188.0142896 [FA (11:0)] undecanoic acid 4.210409715 186.1619943 HMDB00947 LMFA01010011 ZDPHROOEEOARMN-UHFFFAOYSA-N Gly-Ser 12.84881046 162.0638668 WOUIMBGNEUWXQG-UHFFFAOYSA-N Glycerone phosphate 15.13153635 169.9980187 C00111 HMDB01473 GNGACRATGGDKBX-UHFFFAOYSA-N PA(36:2) 3.795297403 700.5038138 C00416 HMDB07865 LMGP10010962 MHUWZNTUIIFHAS-DSSVUWSHSA-N CTP 17.51035475 482.9845366 C00063 HMDB00082 PCDQPRRSZKQHHS-XVFCMESISA-N Asn-Cys-Cys 14.48680304 338.0713807 Melibiitol 15.52934006 344.1321202 C05399 HMDB06791 SERLAGPUMNYUCK-GFRRCQKTSA-N N-Acetyl-D-fucosamine 11.21243211 205.0948394 C15480 XOCCAGJZGBCJME-IANFNVNHSA-N Sulfate 17.54126282 97.96728036 C00059 HMDB01448 QAOWNCQODCNURD-UHFFFAOYSA-N 6-Phospho-D-gluconate 17.30976467 276.0247257 C00345 HMDB01316 BIRSGZKFKXLSJQ-SQOUGZDYSA-N FA methyl(6:0) 4.803119313 130.0994202 LMFA01020080 CVKMFSAVYPAZTQ-UHFFFAOYSA-N D-Galacturonate 14.29222431 194.0425692 C00333 AEMOLEFTQBMNLQ-YMDCURPLSA-N FA methyl(18:0) 3.913241093 298.2871837 HMDB04085 LMFA01020015 BEOUGZFCUMNGOU-UHFFFAOYSA-N sn-Glycerol 3-phosphate 14.80111973 172.0136625 C00093 HMDB00126 AWUCVROLDVIAJX-GSVOUGTGSA-N D-Gluconic acid 13.3296106 196.0582689 C00257 HMDB00625 RGHNJXZEOKUKBD-SQOUGZDYSA-N UDP-glucuronate 18.58490548 580.0342326 C00167 HMDB00935 HDYANYHVCAPMJV-LXQIFKJMSA-N Phosphonoacetate 15.36447185 139.9873068 C05682 HMDB04110 XUYJLQHKOGNDPB-UHFFFAOYSA-N PE(P-40:7) 3.928867723 773.5350277 HMDB11460 LMGP02030006 UKPNUUDYLNCIOE-IZHHWLPXSA-N D-myo-Inositol 1,4,5-trisphosphate 18.47899773 419.9623057 C01245 HMDB01498 MMWCIQZXVOZEGG-XJTPDSDZSA-N dATP 15.24156001 491.0003881 C00131 HMDB01532 SUYVUBYJARFZHO-RRKCRQDMSA-N PI(36:2) 3.799596052 862.5564866 LALGUHSIWLNTNW-SHLWDWSJSA-N PI(36:1) 3.804377252 864.5714207 PONHAMBNZIFEKT-HLQOLDBXSA-N octulose 8-phosphate 16.26721844 320.0508562 3-(ADP)-glycerate 16.20468064 515.0449952 C02509 APVQTUURIRQYIT-NRJACJQQSA-N CMP-2-aminoethylphosphonate 15.16419106 430.0652647 C05673 FBADRUOBFLBKJQ-PEBGCTIMSA-N Hexanoic acid 5.00626485 116.083679 C01585 HMDB00535 LMFA01010006 FUZZWVXGSFPDMH-UHFFFAOYSA-N 7E,9E,11-Dodecatrienyl acetate 4.252984773 222.1620556 LMFA07010233 MJZHEIHTZZJYOP-YTXTXJHMSA-N PS(34:1) 3.816010688 761.5214701 QRWCPZZFGKGUHF-FQGNUJBYSA-N nonulose 9-phosphate 16.58581498 350.0613764 [6]-Paradol 4.066179118 278.1881561 C10482 CZNLTCTYLMYLHL-UHFFFAOYSA-N Phenolsulfonphthalein 5.110569558 354.0561727 C12600 BELBBZDIHDAJOR-UHFFFAOYSA-N N-Glycolyl-D-glucosamine 12.92686377 237.0849432 C03146 KSWRTSFNOKOHBE-PNAXYBNRSA-N D-Glucono-1,5-lactone 11.82056169 178.0477236 C00198 HMDB00150 PHOQVHQSTUBQQK-SQOUGZDYSA-N 3-Phosphonopyruvate 12.65941014 167.9824298 C02798 CHDDAVCOAOFSLD-UHFFFAOYSA-N GDP-L-fucose 17.24783338 589.0822498 C00325 HMDB01095 LQEBEXMHBLQMDB-JGQUBWHWSA-N UDP-glucose 16.04600595 566.0549296 C00029 HMDB00286 HSCJRCZFDFQWRP-JZMIEXBBSA-N PA(36:1) 3.762134975 702.5195758 LMGP10010037 QWNJKTNPNHAYRH-CAPKZEEOSA-N Succinate 14.85422861 118.0265978 C00042 HMDB00254 LMFA01170043 KDYFGRWQOYBRFD-UHFFFAOYSA-N ancymidol 4.904645135 256.1210917 HUTDUHSNJYTCAR-UHFFFAOYSA-N 3-Phospho-D-glyceroyl phosphate 17.6238814 265.9591925 C00236 HMDB01270 LJQLQCAXBUHEAZ-UWTATZPHSA-N D-Ribose 5-phosphate 15.37840099 230.0191 C00117 HMDB01548 KTVPXOYAKDPRHY-SOOFDHNKSA-N (S)-AMPA 14.15348501 186.0640688 C13672 UUDAMDVQRQNNHZ-YFKPBYRVSA-N N3-fumaramoyl-L-2,3-diaminopropanoate 15.4059499 202.0590719 FYPSRFSOOLJBNE-OWOJBTEDSA-M GDP-mannose 17.8726024 605.0771967 C00096 HMDB01163 MVMSCBBUIHUTGJ-GDJBGNAASA-N alpha-D-Glucosamine 1-phosphate 15.41645472 259.0457696 C06156 HMDB01109 YMJBYRVFGYXULK-QZABAPFNSA-N Aspartyl-L-proline 15.25447792 230.0901496 HMDB02335 UKGGPJNBONZZCM-WDSKDSINSA-N Pyrazinemethanethiol 14.72547569 126.0252158 LysoPA(18:0) 4.726916098 438.2739942 Taurine 14.72847273 125.0146392 C00245 HMDB00251 XOAAWQZATWQOTB-UHFFFAOYSA-N FA methyl (8:1) 4.542638537 156.1150356 LMFA01020103 GZECLTXOPLOEJY-SOFGYWHQSA-N 3-Phospho-D-glycerate 16.66291461 185.9928823 C00197 HMDB00807 OSJPPGNTCRNQQC-UWTATZPHSA-N Cys-Leu-Cys-Tyr 10.27442848 500.1767178 L-Glutamate 14.52403502 147.0531535 C00025 HMDB00148 WHUUTDBJXJRKMK-VKHMYHEASA-N UTP 17.30561825 483.9685698 C00075 HMDB00285 PGAVKCOVUIYSFO-XVFCMESISA-N L-Ala-L-Glu 10.05318064 218.0900527 VYZAGTDAHUIRQA-WHFBIAKZSA-M Succinate semialdehyde 13.5676955 102.0317542 C00232 HMDB01259 LMFA06000118 UIUJIQZEACWQSV-UHFFFAOYSA-N Sucrose 15.08650448 342.1162104 C00089 HMDB00258 CZMRCDWAGMRECN-UGDNZRGBSA-N D-Mannitol 1-phosphate 14.99757447 262.045354 C00644 HMDB01530 GACTWZZMVMUKNG-UHFFFAOYSA-N [FA oxo(6:0)] 2-oxo-hexanoic acid 4.985347547 130.0629715 C00902 HMDB01864 LMFA01060007 XNIHZNNZJHYHLC-UHFFFAOYSA-N 3-beta-D-Galactosyl-sn-glycerol 13.71491024 254.1001284 C05401 HMDB06790 NHJUPBDCSOGIKX-NTXXKDEISA-N [SP] Sphing-4-enine-1-phosphate 5.016756812 379.2485726 C06124 HMDB00277 LMSP01050001 DUYSYHSSBDVJSM-KRWOKUGFSA-N 5-Oxoproline 10.15812405 129.0426412 C01879 HMDB00267 ODHCTXKNWHHXJC-VKHMYHEASA-N Mesaconate 11.80807044 130.0265084 C01732 HMDB00749 LMFA01170116 HNEGQIOMVPPMNR-NSCUHMNNSA-N D-Ribitol 5-phosphate 15.45846773 232.0347163 C01068 VJDOAZKNBQCAGE-LMVFSUKVSA-N D-glycero-L-galacto-Octulose 14.20087771 240.0843798 IMP 15.25353489 348.0470166 C00130 HMDB00175 GRSZFWQUAKGDAV-KQYNXXCUSA-N 3-(ADP)-2-phosphoglycerate 17.26202817 595.011728 C03673 FNEVPPRBJBZTAF-MDSCUQPFSA-N Mannitol 13.90088058 182.0790233 C00392 HMDB00765 FBPFZTCFMRRESA-UHFFFAOYSA-N HEPES 10.46597885 238.098537 JKMHFZQWWAIEOD-UHFFFAOYSA-N D-Sedoheptulose 7-phosphate 15.94497738 290.0403435 C05382 JDTUMPKOJBQPKX-UHFFFAOYSA-N hydrogen iodide 9.942528187 127.912197 C05590 XMBWDFGMSWQBCA-UHFFFAOYSA-N Phytuberin 4.109530672 294.1833051 C09709 YARAJYKHRCCDLG-XLNGHYISSA-N D-erythro-L-galacto-Nonulose 16.55459783 270.0951238 2(alpha-D-Mannosyl)-D-glycerate 14.72291865 268.0794747 C11544 DDXCFDOPXBPUJC-SAYMMRJXSA-N (S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate 14.15749886 198.0639218 C04771 WZNJWVWKTVETCG-YFKPBYRVSA-N 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid 12.37986465 291.0954376 C04580 JINJZWSZQKHCIP-IUSKBOIHSA-N Nicotinurate 14.15212943 180.05361 C05380 HMDB03269 ZBSGKPYXQINNGF-UHFFFAOYSA-N alpha-D-Mannoheptulopyranose 13.68663301 210.0740208 C08236 HAIWUXASLYEWLM-VEIUFWFVSA-N Orthophosphate 15.69561691 97.97679641 C00009 HMDB02142 NBIIXXVUZAFLBC-UHFFFAOYSA-N PE(34:2) 4.026689822 715.5155242 LMGP02020005 FENSRZKRANTRCP-UHFFFAOYSA-N 3,3'-Thiobispropanoic acid 7.692007188 178.0300056 Bile salt 5.01561373 408.2873234 C01558 BHQCQFFYRZLCQQ-UMZBRFQRSA-N Cyclic ADP-ribose 14.07083704 541.060382 C13050 BQOHYSXSASDCEA-KEOHHSTQSA-N 5-Acetyl-2,4-dimethyloxazole 7.710850447 139.0633467 Orotate(Fragment) 12.11104556 112.027308 C00295 HMDB00226 PXQPEWDEAKTCGB-UHFFFAOYSA-N PG(34:1) 3.823801688 748.5246112 LMGP04010457 YIQBSYSBVXVBAC-JYMHUOGFSA-N Monoglyceride citrate 11.58943627 266.0642373 5'-Dehydroadenosine 10.17984785 265.0809621 C11500 CWNMDMYGRVHXDR-KQYNXXCUSA-N PE(34:1) 4.028643983 717.5309685 DVXMEPWDARXHCX-OTMQOFQLSA-N D-Glucose 12.64083715 180.0633678 C00221 HMDB00122 WQZGKKKJIJFFOK-GASJEMHNSA-N L-Aspartate 14.77546658 133.0375705 C00049 HMDB00191 CKLJMWTZIZZHCS-REOHCLBHSA-N L-Fuculose 1-phosphate 15.17793062 244.0347571 C01099 KNYGWWDTPGSEPD-LFRDXLMFSA-N Orotidine 12.13403467 288.0594339 HMDB00788 FKCRAVPPBFWEJD-XVFCMESISA-N UDP-N-acetyl-D-galactosamine 14.85840647 607.0815733 C00203 HMDB00304 LMSL01010002 LFTYTUAZOPRMMI-UHFFFAOYSA-N cis-Aconitate 17.45472742 174.0163713 C00417 HMDB00072 GTZCVFVGUGFEME-IWQZZHSRSA-N CDP-ethanolamine 16.19225764 446.0601453 C00570 HMDB01564 WVIMUEUQJFPNDK-PEBGCTIMSA-N (R,R)-Tartaric acid 16.94568943 150.0164017 C00898 HMDB00956 FEWJPZIEWOKRBE-UHFFFAOYSA-N sn-glycero-3-Phospho-1-inositol 15.90255464 334.0664597 C01225 HMDB11649 BMVUIWJCUQSHLZ-UJGXJMNGSA-N Citrate 17.68765238 192.0269896 C00158 HMDB00094 KRKNYBCHXYNGOX-UHFFFAOYSA-N P-DPD 12.48536815 212.0085936 DTZHMTDUIGHESZ-UHFFFAOYSA-L D-Erythrose 10.54554154 120.0422258 C01796 HMDB02649 FMAORJIQYMIRHF-HERZVMAMSA-N L-Rhamnose 11.55229629 164.0685245 C00507 HMDB00849 SHZGCJCMOBCMKK-JFNONXLTSA-N Cyclic 2,3-bisphospho-D-glycerate 19.66147405 247.9486209 C06189 PZJOIILIPTVGFU-UHFFFAOYSA-N 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide 15.22405416 338.062832 C04677 HMDB01517 NOTGFIUVDGNKRI-UUOKFMHZSA-N D-Arabinonate 13.36413393 166.0477582 C00878 QXKAIJAYHKCRRA-JJYYJPOSSA-M melibionate 15.02541586 358.1111852 MUUBPEHTAPZMCA-RQPDCMAESA-M tartrazine 16.61196229 468.0046565 HOSOJXUREVIOMO-AQTBWJFISA-K N-acetyl -D- glucosaminitol 13.28140913 223.105468 DWAICOVNOFPYLS-LXGUWJNJSA-N 3-(4-Hydroxyphenyl)lactate 8.831691865 182.0578303 C03672 HMDB00755 JVGVDSSUAVXRDY-UHFFFAOYSA-N 2-Oxoglutarate 15.25062816 146.0216026 C00026 HMDB00208 KPGXRSRHYNQIFN-UHFFFAOYSA-N D-erythro-D-galacto-octitol 15.45472415 242.1002324 PE(31:4) 7.655770787 669.4364487 LMGP02010394 LJRKKSBIPGDNNM-FCDKFIKWSA-N Ala-Cys-Pro-Ser 14.6326223 376.1416091 2-Amino-9,10-epoxy-8-oxodecanoic acid 12.82307869 215.1157215 C12027 LMFA01060176 PFDHVDFPTKSEKN-JAVCKPHESA-N vanillylamine 7.634401025 153.0788903 C16666 HMDB12309 WRPWWVNUCXQDQV-UHFFFAOYSA-N 2-Hydroxyethanesulfonate 10.54127598 125.9987699 C05123 HMDB03903 SUMDYPCJJOFFON-UHFFFAOYSA-N Quinate 12.55266362 192.0633997 C00296 HMDB03072 AAWZDTNXLSGCEK-WYWMIBKRSA-N 2-C-Methyl-D-erythritol 4-phosphate 14.00704819 216.0400682 C11434 XMWHRVNVKDKBRG-UHNVWZDZSA-N (S)-1-Pyrroline-5-carboxylate 14.67882617 113.0478323 C03912 HMDB01301 DWAKNKKXGALPNW-BYPYZUCNSA-N Urate 12.44024028 168.0283502 C00366 HMDB00289 LEHOTFFKMJEONL-UHFFFAOYSA-N Glu-Asp 13.88384127 262.0804463 D-Glucarate 16.70194107 210.0375587 C00818 DSLZVSRJTYRBFB-LLEIAEIESA-L PE(36:1) 4.000141552 745.5610698 LICSIKXBSOVGBP-VEAYGOGPSA-N Avenic acid A 15.42648091 322.1375987 Gln-Leu-Lys-Tyr 15.58051148 550.3123384 N-Ethylglycocyamine 13.35506963 207.1107314 C02852 CTNBESGEKMCKRZ-AACCOFLISA-N GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) 4.983873372 668.429632 LMSP0502AB07 WSOCRZVLWFROQD-UKBYAVDWSA-N N-Acetyl-D-glucosamine 6-phosphate 14.65548108 301.0562883 C00357 HMDB01062 BRGMHAYQAZFZDJ-RTRLPJTCSA-N D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose 11.06142894 265.1160223 2-Dodecylbenzenesulfonic acid 3.80485787 326.1916684 2-Hydroxy-2,4-pentadienoate 14.72384022 114.0315785 C00596 VHTQQDXPNUTMNB-ONEGZZNKSA-N 1D-myo-Inositol 3,4,5,6-tetrakisphosphate 19.28244445 499.9284949 C04520 HMDB03848 MRVYFOANPDTYBY-UZAAGFTCSA-N D-Mannonate 13.92807545 196.0582879 C00514 RGHNJXZEOKUKBD-MBMOQRBOSA-M D-Galactose 14.74611183 180.0633414 C00124 HMDB00143 WQZGKKKJIJFFOK-SVZMEOIVSA-N Arg-Phe-Phe-Arg 14.7614813 624.3494862 Glu-Ser-Thr 14.66402668 335.1328972 PE(12:0/18:4(6Z,9Z,12Z,15Z)) 4.988908725 655.4212759 LMGP02010369 RSYARUVIVSLYPS-JUISVHGMSA-N N-Undecylbenzenesulfonic acid 3.825435992 312.1761315 PIPES 14.06201623 151.0303524 IHPYMWDTONKSCO-UHFFFAOYSA-N PIP(38:4) 7.65636586 483.2612897 C00626 HMDB09922 OXBDQZJHLRKLND-COINVZCISA-N PS(18:0) 4.314925757 525.3069289 LMGP03050006 ZPDQFUYPBVXUKS-YADHBBJMSA-N Glu-Lys-Lys-Phe 15.92930186 550.3112205 nicotinamide guanine dinucleotide 13.0005807 679.1041344 NCFRZZVNRVEQJK-OLRWKSFRSA-N METABOLITES_END #END