#METABOLOMICS WORKBENCH dinkumar@ucdavis.edu_20190312_104752 DATATRACK_ID:1672 STUDY_ID:ST001154 ANALYSIS_ID:AN001941 PROJECT_ID:PR000773
VERSION             	1
CREATED_ON             	April 24, 2019, 4:23 pm
#PROJECT
PR:PROJECT_TITLE                 	A comprehensive plasma metabolomics dataset for a cohort of mouse knockouts
PR:PROJECT_TITLE                 	within the International Mouse Phenotyping Consortium
PR:PROJECT_TYPE                  	Observational study
PR:PROJECT_SUMMARY               	Untargeted and targeted metabolomics datasets were acquired for blood plasma
PR:PROJECT_SUMMARY               	samples of 30 mouse knockouts and the wildtype strain within the International
PR:PROJECT_SUMMARY               	Mouse Phenotyping Consortium (IMPC http://www.mousephenotype.org/). West Coast
PR:PROJECT_SUMMARY               	Metabolomics Center at UC Davis (https://metabolomics.ucdavis.edu/) conducted
PR:PROJECT_SUMMARY               	the metabolomics analyses.
PR:INSTITUTE                     	University of California
PR:DEPARTMENT                    	Genome Center
PR:LAST_NAME                     	Barupal
PR:FIRST_NAME                    	Dinessh
PR:ADDRESS                       	451 Health Science Drive, West Coast Metabolomics Center, Davis, California,
PR:ADDRESS                       	95616, USA
PR:EMAIL                         	dinkumar@ucdavis.edu
PR:PHONE                         	5309794354
#STUDY
ST:STUDY_TITLE                   	A comprehensive plasma metabolomics dataset for a cohort of mouse knockouts
ST:STUDY_TITLE                   	within the International Mouse Phenotyping Consortium
ST:STUDY_SUMMARY                 	Untargeted and targeted metabolomics datasets were acquired for blood plasma
ST:STUDY_SUMMARY                 	samples of 30 mouse knockouts within the International Mouse Phenotyping
ST:STUDY_SUMMARY                 	Consortium (IMPC). http://www.mousephenotype.org/. West Coast Metabolomics
ST:STUDY_SUMMARY                 	Center at UC Davis (https://metabolomics.ucdavis.edu/) conducted the
ST:STUDY_SUMMARY                 	metabolomics analyses.
ST:INSTITUTE                     	University of California
ST:DEPARTMENT                    	Genome Center
ST:LABORATORY                    	West Coast Metabolomics Center
ST:LAST_NAME                     	Barupal
ST:FIRST_NAME                    	Dinesh
ST:ADDRESS                       	451 East Health Science Drive
ST:EMAIL                         	dinkumar@ucdavis.edu
ST:PHONE                         	5309794354
ST:NUM_GROUPS                    	31
ST:TOTAL_SUBJECTS                	220
ST:NUM_MALES                     	110
ST:NUM_FEMALES                   	110
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:AGE_OR_AGE_RANGE              	Adult
SU:GENDER                        	Male and female
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	MOUSE_001	413741_001	Genotype:Pebp1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_002	413742_002	Genotype:Pebp1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_003	413745_003	Genotype:Pebp1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_004	428689_004	Genotype:Pebp1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_005	428693_005	Genotype:Pebp1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_006	433002_006	Genotype:Pebp1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_007	185262_007	Genotype:Idh1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_008	115900_008	Genotype:Idh1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_009	115996_009	Genotype:Idh1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_010	138110_010	Genotype:Idh1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_011	138120_011	Genotype:Idh1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_012	190701_012	Genotype:Idh1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_013	143866_013	Genotype:Atp5b	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_014	143867_014	Genotype:Atp5b	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_015	143869_015	Genotype:Atp5b	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_016	144064_016	Genotype:Atp5b	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_017	123951_017	Genotype:Atp5b	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_018	123953_018	Genotype:Atp5b	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_019	487464_019	Genotype:Iqgap1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_020	487461_020	Genotype:Iqgap1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_021	493977_021	Genotype:Iqgap1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_022	506107_022	Genotype:Iqgap1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_023	435798_023	Genotype:Iqgap1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_024	487667_024	Genotype:Iqgap1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_025	204770_025	Genotype:A2m	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_026	204771_026	Genotype:A2m	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_027	215989_027	Genotype:A2m	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_028	216077_028	Genotype:A2m	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_029	216079_029	Genotype:A2m	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_030	216080_030	Genotype:A2m	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_031	212477_031	Genotype:Mfap4	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_032	212480_032	Genotype:Mfap4	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_033	213386_033	Genotype:Mfap4	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_034	225109_034	Genotype:Mfap4	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_035	225110_035	Genotype:Mfap4	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_036	225111_036	Genotype:Mfap4	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_037	233525_037	Genotype:C8a	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_038	257443_038	Genotype:C8a	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_039	257445_039	Genotype:C8a	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_040	222899_040	Genotype:C8a	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_041	224106_041	Genotype:C8a	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_042	224107_042	Genotype:C8a	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_043	43709_043	Genotype:Galc	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_044	43711_044	Genotype:Galc	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_045	43712_045	Genotype:Galc	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_046	40393_046	Genotype:Galc	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_047	40494_047	Genotype:Galc	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_048	40495_048	Genotype:Galc	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_049	129283_049	Genotype:Dhfr	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_050	129285_050	Genotype:Dhfr	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_051	129286_051	Genotype:Dhfr	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_052	122070_052	Genotype:Dhfr	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_053	125374_053	Genotype:Dhfr	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_054	125375_054	Genotype:Dhfr	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_055	92293_055	Genotype:Npc2	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_056	92294_056	Genotype:Npc2	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_057	97201_057	Genotype:Npc2	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_058	92481_058	Genotype:Npc2	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_059	92495_059	Genotype:Npc2	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_060	92497_060	Genotype:Npc2	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_061	180956_061	Genotype:Ahcy	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_062	180957_062	Genotype:Ahcy	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_063	180958_063	Genotype:Ahcy	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_064	181061_064	Genotype:Ahcy	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_065	190365_065	Genotype:Ahcy	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_066	190372_066	Genotype:Ahcy	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_067	172417_067	Genotype:Pipox	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_068	285069_068	Genotype:Pipox	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_069	285072_069	Genotype:Pipox	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_070	129860_070	Genotype:Pipox	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_071	129866_071	Genotype:Pipox	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_072	129869_072	Genotype:Pipox	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_073	356157_073	Genotype:Mmachc	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_074	356268_074	Genotype:Mmachc	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_075	356272_075	Genotype:Mmachc	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_076	356371_076	Genotype:Mmachc	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_077	356475_077	Genotype:Mmachc	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_078	356477_078	Genotype:Mmachc	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_079	243278_079	Genotype:Ywhaz	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_080	243279_080	Genotype:Ywhaz	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_081	253688_081	Genotype:Ywhaz	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_082	243382_082	Genotype:Ywhaz	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_083	253789_083	Genotype:Ywhaz	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_084	253791_084	Genotype:Ywhaz	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_085	420424_085	Genotype:G6pd2	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_086	429932_086	Genotype:G6pd2	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_087	429948_087	Genotype:G6pd2	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_088	410985_088	Genotype:G6pd2	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_089	430037_089	Genotype:G6pd2	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_090	432863_090	Genotype:G6pd2	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_091	38276_091	Genotype:Gnpda1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_092	40681_092	Genotype:Gnpda1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_093	40683_093	Genotype:Gnpda1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_094	38379_094	Genotype:Gnpda1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_095	40790_095	Genotype:Gnpda1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_096	40793_096	Genotype:Gnpda1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_097	72465_097	Genotype:Lmbrd1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_098	85374_098	Genotype:Lmbrd1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_099	85376_099	Genotype:Lmbrd1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_100	111495_100	Genotype:Lmbrd1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_101	118598_101	Genotype:Lmbrd1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_102	118599_102	Genotype:Lmbrd1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_103	302576_103	Genotype:Pmm2	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_104	302577_104	Genotype:Pmm2	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_105	303981_105	Genotype:Pmm2	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_106	294366_106	Genotype:Pmm2	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_107	296769_107	Genotype:Pmm2	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_108	296770_108	Genotype:Pmm2	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_109	206923_109	Genotype:Cdk4	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_110	206925_110	Genotype:Cdk4	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_111	209532_111	Genotype:Cdk4	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_112	206819_112	Genotype:Cdk4	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_113	217741_113	Genotype:Cdk4	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_114	217742_114	Genotype:Cdk4	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_115	230187_115	Genotype:Rock1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_116	230188_116	Genotype:Rock1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_117	244901_117	Genotype:Rock1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_118	230295_118	Genotype:Rock1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_119	253313_119	Genotype:Rock1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_120	253314_120	Genotype:Rock1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_121	296500_121	Genotype:Atp6v0d1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_122	296501_122	Genotype:Atp6v0d1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_123	296503_123	Genotype:Atp6v0d1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_124	254467_124	Genotype:Atp6v0d1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_125	254468_125	Genotype:Atp6v0d1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_126	254470_126	Genotype:Atp6v0d1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_127	424983_127	Genotype:Dync1li1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_128	424984_128	Genotype:Dync1li1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_129	427987_129	Genotype:Dync1li1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_130	428092_130	Genotype:Dync1li1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_131	447115_131	Genotype:Dync1li1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_132	447116_132	Genotype:Dync1li1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_133	215489_133	Genotype:Plk1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_134	215490_134	Genotype:Plk1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_135	215491_135	Genotype:Plk1	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_136	221098_136	Genotype:Plk1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_137	230007_137	Genotype:Plk1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_138	230010_138	Genotype:Plk1	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_139	448910_139	Genotype:Pttg1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_140	448913_140	Genotype:Pttg1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_141	448924_141	Genotype:Pttg1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_142	493894_142	Genotype:Pttg1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_143	493806_143	Genotype:Pttg1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_144	508035_144	Genotype:Pttg1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_145	244183_145	Genotype:Phyh	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_146	257899_146	Genotype:Phyh	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_147	257807_147	Genotype:Phyh	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_148	244289_148	Genotype:Phyh	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_149	218139_149	Genotype:Phyh	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_150	218142_150	Genotype:Phyh	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_151	345319_151	Genotype:Mvk	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_152	345321_152	Genotype:Mvk	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_153	345323_153	Genotype:Mvk	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_154	328195_154	Genotype:Mvk	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_155	328199_155	Genotype:Mvk	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_156	349944_156	Genotype:Mvk	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_157	366627_157	Genotype:Nek2	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_158	349640_158	Genotype:Nek2	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_159	349643_159	Genotype:Nek2	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_160	349745_160	Genotype:Nek2	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_161	349748_161	Genotype:Nek2	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_162	349774_162	Genotype:Nek2	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_163	487174_163	Genotype:Ulk3	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_164	511373_164	Genotype:Ulk3	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_165	511380_165	Genotype:Ulk3	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_166	487277_166	Genotype:Ulk3	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_167	496303_167	Genotype:Ulk3	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_168	496304_168	Genotype:Ulk3	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_169	237811_169	Genotype:Ptpn12	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_170	237812_170	Genotype:Ptpn12	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_171	206458_171	Genotype:Ptpn12	Gender=M; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_172	248921_172	Genotype:Ptpn12	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_173	249730_173	Genotype:Ptpn12	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_174	249731_174	Genotype:Ptpn12	Gender=F; zygosity=+/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_175	69286_175	Genotype:Sra1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_176	69290_176	Genotype:Sra1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_177	73696_177	Genotype:Sra1	Gender=M; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_178	55771_178	Genotype:Sra1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_179	55774_179	Genotype:Sra1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_180	55776_180	Genotype:Sra1	Gender=F; zygosity=-/-
SUBJECT_SAMPLE_FACTORS           	MOUSE_181	34419_181	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_182	38434_182	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_183	38538_183	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_184	38541_184	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_185	69395_185	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_186	91834_186	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_187	115757_187	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_188	115864_188	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_189	55857_189	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_190	69499_190	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_191	144610_191	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_192	187595_192	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_193	198313_193	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_194	144713_194	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_195	170956_195	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_196	198416_196	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_197	209137_197	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_198	229587_198	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_199	237610_199	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_200	257540_200	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_201	281970_201	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_202	209241_202	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_203	220170_203	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_204	229695_204	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_205	237716_205	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_206	257643_206	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_207	307710_207	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_208	348926_208	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_209	365959_209	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_210	296904_210	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_211	319741_211	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_212	349029_212	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_213	410683_213	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_214	441144_214	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_215	483044_215	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_216	417795_216	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_217	432639_217	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_218	448374_218	Genotype:Null	Gender=F; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_219	510073_219	Genotype:Null	Gender=M; zygosity=+/+
SUBJECT_SAMPLE_FACTORS           	MOUSE_220	496096_220	Genotype:Null	Gender=F; zygosity=+/+
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood specimens were collected using the IMPC protocol
CO:COLLECTION_SUMMARY            	https://www.mousephenotype.org/impress/
CO:SAMPLE_TYPE                   	Blood (plasma)
#TREATMENT
TR:TREATMENT_SUMMARY             	30 genotypes and one group of wildtype mouse
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites were extracted using standard protocols for GCMS and LCMS assays by
SP:SAMPLEPREP_SUMMARY            	the West Coast Metabolomics Center.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 6890N
CH:COLUMN_NAME                   	Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Leco Pegasus IV TOF
MS:INSTRUMENT_TYPE               	GC-TOF
MS:MS_TYPE                       	EI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Data acquisition : An Agilent 6890 gas chromatography instrument equipped with a
MS:MS_COMMENTS                   	Gerstel automatic linear exchange systems (ALEX) which included a multipurpose
MS:MS_COMMENTS                   	sample dual rail and a Gerstel cold injection system (CIS). The CIS temperature
MS:MS_COMMENTS                   	program was : 50°C to 275°C final temperature at a rate of 12 °C/s and hold
MS:MS_COMMENTS                   	for 3 minutes. Injection volume was 0.5 µL with 10 µL/s injection speed.
MS:MS_COMMENTS                   	Injection mode was splitless with a purge time of 25 seconds. Injector liner was
MS:MS_COMMENTS                   	changed after every 10 samples. Injection syringe was washed with 10 µL of
MS:MS_COMMENTS                   	ethyl acetate before and after each run. A Rtx-5Sil MS column (30m length, 0.25
MS:MS_COMMENTS                   	mm i.d, 0.25 microM 95% dimethyl 5% diphenyl polysiloxane film). An additional
MS:MS_COMMENTS                   	10 m integrated guard column was used. Mobile phase was 99.9999% pure Helium gas
MS:MS_COMMENTS                   	with a flow rate of 1ml/min. GC temperature program was : hold at 50°C for 1
MS:MS_COMMENTS                   	min, ramped at 20°C/min to 330°C and then hold for 5 minutes. A Leco Pegasus
MS:MS_COMMENTS                   	IV time of flight mass spectrometer was used to acquire data. The transfer line
MS:MS_COMMENTS                   	temperature between gas chromatograph and mass spectrometer was set to 280°C.
MS:MS_COMMENTS                   	Electron impact ionization at 70V was employed with an ion-source temperature of
MS:MS_COMMENTS                   	250°C. Acquisition rate was 17 spectra/second with a scan mass range of 85-500
MS:MS_COMMENTS                   	Da. Data processing : Data processing Raw data files are preprocessed directly
MS:MS_COMMENTS                   	after data acquisition and stored as ChromaTOF-specific *.peg files, as generic
MS:MS_COMMENTS                   	*.txt result files and additionally as generic ANDI MS *.cdf files. ChromaTOF
MS:MS_COMMENTS                   	vs. 4.0 is used for data preprocessing without smoothing, 3 s peak width,
MS:MS_COMMENTS                   	baseline subtraction just above the noise level, and automatic mass spectral
MS:MS_COMMENTS                   	deconvolution and peak detection at signal/noise levels of 5:1 throughout the
MS:MS_COMMENTS                   	chromatogram. Apex masses are reported for use in the BinBase algorithm. Result
MS:MS_COMMENTS                   	*.txt files are exported to a data server with absolute spectra intensities and
MS:MS_COMMENTS                   	further processed by a filtering algorithm implemented in the metabolomics
MS:MS_COMMENTS                   	BinBase database.The BinBase algorithm (rtx5) used the settings: validity of
MS:MS_COMMENTS                   	chromatogram (10^7 counts s -1 ), unbiased retention index marker detection (MS
MS:MS_COMMENTS                   	similarity>800, validity of intensity range for high m/z marker ions), retention
MS:MS_COMMENTS                   	index calculation by 5th order polynomial regression. Spectra are cut to 5% base
MS:MS_COMMENTS                   	peak abundance and matched to database entries from most to least abundant
MS:MS_COMMENTS                   	spectra using the following matching filters: retention index window ±2,000
MS:MS_COMMENTS                   	units (equivalent to about ±2 s retention time), validation of unique ions and
MS:MS_COMMENTS                   	apex masses (unique ion must be included in apexing masses and present at >3% of
MS:MS_COMMENTS                   	base peak abundance), mass spectrum similarity must fit criteria dependent on
MS:MS_COMMENTS                   	peak purity and signal/noise ratios and a final isomer filter. Failed spectra
MS:MS_COMMENTS                   	are automatically entered as new database entries if s/n >25, purity 80%. All
MS:MS_COMMENTS                   	thresholds reflect settings for ChromaTOF v. 4.0. Quantification is reported as
MS:MS_COMMENTS                   	peak height using the unique ion as default, unless a different quantification
MS:MS_COMMENTS                   	ion is manually set in the BinBase administration software BinView. A
MS:MS_COMMENTS                   	quantification report table is produced for all database entries that are
MS:MS_COMMENTS                   	positively detected in more than 10% of the samples of a study design class (as
MS:MS_COMMENTS                   	defined in the miniX database) for unidentified metabolites. A subsequent
MS:MS_COMMENTS                   	post-processing module is employed to automatically replace missing values from
MS:MS_COMMENTS                   	the *.cdf files. Replaced values are labeled as ‘low confidence’ by color
MS:MS_COMMENTS                   	coding, and for each metabolite, the number of high-confidence peak detections
MS:MS_COMMENTS                   	is recorded as well as the ratio of the average height of replaced values to
MS:MS_COMMENTS                   	high-confidence peak detections. These ratios and numbers are used for manual
MS:MS_COMMENTS                   	curation of automatic report data sets to data sets released for submission.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	normalized peak height
MS_METABOLITE_DATA_START
Samples	111495_100	115757_187	115864_188	115900_008	115996_009	118598_101	118599_102	122070_052	123951_017	123953_018	125374_053	125375_054	129283_049	129285_050	129286_051	129860_070	129866_071	129869_072	138110_010	138120_011	143866_013	143867_014	143869_015	144064_016	144610_191	144713_194	170956_195	172417_067	180956_061	180957_062	180958_063	181061_064	185262_007	187595_192	190365_065	190372_066	190701_012	198313_193	198416_196	204770_025	204771_026	206458_171	206819_112	206923_109	206925_110	209137_197	209241_202	209532_111	212477_031	212480_032	213386_033	215489_133	215490_134	215491_135	215989_027	216077_028	216079_029	216080_030	217741_113	217742_114	218139_149	218142_150	220170_203	221098_136	222899_040	224106_041	224107_042	225109_034	225110_035	225111_036	229587_198	229695_204	230007_137	230010_138	230187_115	230188_116	230295_118	233525_037	237610_199	237716_205	237811_169	237812_170	243278_079	243279_080	243382_082	244183_145	244289_148	244901_117	248921_172	249730_173	249731_174	253313_119	253314_120	253688_081	253789_083	253791_084	254467_124	254468_125	254470_126	257443_038	257445_039	257540_200	257643_206	257807_147	257899_146	281970_201	285069_068	285072_069	294366_106	296500_121	296501_122	296503_123	296769_107	296770_108	296904_210	302576_103	302577_104	303981_105	307710_207	319741_211	328195_154	328199_155	34419_181	345319_151	345321_152	345323_153	348926_208	349029_212	349640_158	349643_159	349745_160	349748_161	349774_162	349944_156	356157_073	356268_074	356272_075	356371_076	356475_077	356477_078	365959_209	366627_157	38276_091	38379_094	38434_182	38538_183	38541_184	40393_046	40494_047	40495_048	40681_092	40683_093	40790_095	40793_096	410683_213	410985_088	413741_001	413742_002	413745_003	417795_216	420424_085	424983_127	424984_128	427987_129	428092_130	428689_004	428693_005	429932_086	429948_087	430037_089	432639_217	432863_090	433002_006	435798_023	43709_043	43711_044	43712_045	441144_214	447115_131	447116_132	448374_218	448910_139	448913_140	448924_141	483044_215	487174_163	487277_166	487461_020	487464_019	487667_024	493806_143	493894_142	493977_021	496096_220	496303_167	496304_168	506107_022	508035_144	510073_219	511373_164	511380_165	55771_178	55774_179	55776_180	55857_189	69286_175	69290_176	69395_185	69499_190	72465_097	73696_177	85374_098	85376_099	91834_186	92293_055	92294_056	92481_058	92495_059	92497_060	97201_057
Factors	Genotype:Lmbrd1	Genotype:Null	Genotype:Null	Genotype:Idh1	Genotype:Idh1	Genotype:Lmbrd1	Genotype:Lmbrd1	Genotype:Dhfr	Genotype:Atp5b	Genotype:Atp5b	Genotype:Dhfr	Genotype:Dhfr	Genotype:Dhfr	Genotype:Dhfr	Genotype:Dhfr	Genotype:Pipox	Genotype:Pipox	Genotype:Pipox	Genotype:Idh1	Genotype:Idh1	Genotype:Atp5b	Genotype:Atp5b	Genotype:Atp5b	Genotype:Atp5b	Genotype:Null	Genotype:Null	Genotype:Null	Genotype:Pipox	Genotype:Ahcy	Genotype:Ahcy	Genotype:Ahcy	Genotype:Ahcy	Genotype:Idh1	Genotype:Null	Genotype:Ahcy	Genotype:Ahcy	Genotype:Idh1	Genotype:Null	Genotype:Null	Genotype:A2m	Genotype:A2m	Genotype:Ptpn12	Genotype:Cdk4	Genotype:Cdk4	Genotype:Cdk4	Genotype:Null	Genotype:Null	Genotype:Cdk4	Genotype:Mfap4	Genotype:Mfap4	Genotype:Mfap4	Genotype:Plk1	Genotype:Plk1	Genotype:Plk1	Genotype:A2m	Genotype:A2m	Genotype:A2m	Genotype:A2m	Genotype:Cdk4	Genotype:Cdk4	Genotype:Phyh	Genotype:Phyh	Genotype:Null	Genotype:Plk1	Genotype:C8a	Genotype:C8a	Genotype:C8a	Genotype:Mfap4	Genotype:Mfap4	Genotype:Mfap4	Genotype:Null	Genotype:Null	Genotype:Plk1	Genotype:Plk1	Genotype:Rock1	Genotype:Rock1	Genotype:Rock1	Genotype:C8a	Genotype:Null	Genotype:Null	Genotype:Ptpn12	Genotype:Ptpn12	Genotype:Ywhaz	Genotype:Ywhaz	Genotype:Ywhaz	Genotype:Phyh	Genotype:Phyh	Genotype:Rock1	Genotype:Ptpn12	Genotype:Ptpn12	Genotype:Ptpn12	Genotype:Rock1	Genotype:Rock1	Genotype:Ywhaz	Genotype:Ywhaz	Genotype:Ywhaz	Genotype:Atp6v0d1	Genotype:Atp6v0d1	Genotype:Atp6v0d1	Genotype:C8a	Genotype:C8a	Genotype:Null	Genotype:Null	Genotype:Phyh	Genotype:Phyh	Genotype:Null	Genotype:Pipox	Genotype:Pipox	Genotype:Pmm2	Genotype:Atp6v0d1	Genotype:Atp6v0d1	Genotype:Atp6v0d1	Genotype:Pmm2	Genotype:Pmm2	Genotype:Null	Genotype:Pmm2	Genotype:Pmm2	Genotype:Pmm2	Genotype:Null	Genotype:Null	Genotype:Mvk	Genotype:Mvk	Genotype:Null	Genotype:Mvk	Genotype:Mvk	Genotype:Mvk	Genotype:Null	Genotype:Null	Genotype:Nek2	Genotype:Nek2	Genotype:Nek2	Genotype:Nek2	Genotype:Nek2	Genotype:Mvk	Genotype:Mmachc	Genotype:Mmachc	Genotype:Mmachc	Genotype:Mmachc	Genotype:Mmachc	Genotype:Mmachc	Genotype:Null	Genotype:Nek2	Genotype:Gnpda1	Genotype:Gnpda1	Genotype:Null	Genotype:Null	Genotype:Null	Genotype:Galc	Genotype:Galc	Genotype:Galc	Genotype:Gnpda1	Genotype:Gnpda1	Genotype:Gnpda1	Genotype:Gnpda1	Genotype:Null	Genotype:G6pd2	Genotype:Pebp1	Genotype:Pebp1	Genotype:Pebp1	Genotype:Null	Genotype:G6pd2	Genotype:Dync1li1	Genotype:Dync1li1	Genotype:Dync1li1	Genotype:Dync1li1	Genotype:Pebp1	Genotype:Pebp1	Genotype:G6pd2	Genotype:G6pd2	Genotype:G6pd2	Genotype:Null	Genotype:G6pd2	Genotype:Pebp1	Genotype:Iqgap1	Genotype:Galc	Genotype:Galc	Genotype:Galc	Genotype:Null	Genotype:Dync1li1	Genotype:Dync1li1	Genotype:Null	Genotype:Pttg1	Genotype:Pttg1	Genotype:Pttg1	Genotype:Null	Genotype:Ulk3	Genotype:Ulk3	Genotype:Iqgap1	Genotype:Iqgap1	Genotype:Iqgap1	Genotype:Pttg1	Genotype:Pttg1	Genotype:Iqgap1	Genotype:Null	Genotype:Ulk3	Genotype:Ulk3	Genotype:Iqgap1	Genotype:Pttg1	Genotype:Null	Genotype:Ulk3	Genotype:Ulk3	Genotype:Sra1	Genotype:Sra1	Genotype:Sra1	Genotype:Null	Genotype:Sra1	Genotype:Sra1	Genotype:Null	Genotype:Null	Genotype:Lmbrd1	Genotype:Sra1	Genotype:Lmbrd1	Genotype:Lmbrd1	Genotype:Null	Genotype:Npc2	Genotype:Npc2	Genotype:Npc2	Genotype:Npc2	Genotype:Npc2	Genotype:Npc2
xylulose NIST	2366	1937	1449	1141	1194	5004	6019	1245	4138	982	1077	827	2429	1267	510	2770	4415	953	3797	4715	4834	324	6038	1379	2881	954	1081	5314	1294	1245	1447	1205	937	1004	5841	1358	785	2034	653	3275	3004	1113	865	848	1034	4018	793	4248	1270	3095	1023	993	2705	974	2738	2677	5257	778	871	595	1058	717	458	267	983	1879	768	866	1927	893	763	4028	879	513	2213	1642	972	1125	892	4010	1026	4140	763	2864	916	1112	1651	1166	4386	331	3582	876	826	922	914	1775	938	637	547	818	2115	917	4222	590	706	859	7732	1072	857	701	2507	780	4593	1040	2164	2401	1116	1209	5594	3633	359	605	3382	790	816	598	952	2468	1021	825	1145	649	712	878	2692	2489	1198	3338	4939	5229	6444	1106	1149	958	968	3726	4605	1905	931	2628	1151	586	1486	2209	801	874	917	3579	4549	1056	2967	829	3495	1799	3346	1167	4453	393	1097	972	3980	812	7054	3681	2491	908	1191	4304	878	3541	3532	683	960	1856	3573	918	5435	2853	1068	1076	1449	997	1490	3296	5076	5101	1271	2593	3653	4065	863	3099	732	3407	889	2480	4181	846	683	969	2234	1009	985	1350	1920	992	1417	2800	206	1016
xylose	32457	11603	15132	51571	8918	4262	30935	10333	22967	3881	12730	11204	4735	7601	14789	6279	4629	3858	51830	6759	10742	11755	8044	6064	3227	4451	4903	9060	7153	34916	9896	26318	8195	7752	6488	21970	8176	2324	17775	4210	33148	6138	4482	23073	10042	12066	33443	7165	8382	11215	9933	30895	6315	5146	5053	7781	3278	33599	28440	6195	14885	15483	9155	8013	8478	8423	3157	10115	31885	2373	4879	7096	19890	7253	3782	19556	6540	37889	43917	6188	16346	28446	40525	8090	17443	11509	3580	7937	32414	35092	11155	3151	28075	23405	5134	3448	5911	7847	4572	18036	4931	6197	5713	16633	21150	3888	37081	13503	39821	3041	8029	33584	44939	51263	3031	25170	5891	25789	29243	8559	13568	4253	7038	18677	7017	6360	6465	10172	16886	15257	22844	12629	14041	55565	36159	12598	27125	24935	26506	9684	8660	9421	15122	5398	5369	7040	24246	16766	6690	21727	7868	23102	29645	8092	2389	1551	34214	18627	14691	2246	36322	8136	2461	20810	7091	37542	5004	27346	54577	11430	15407	32892	8857	40223	22384	29962	3680	4015	35063	3734	3083	19754	53817	7609	1719	13056	16180	6857	4436	3046	30072	12883	10112	2967	6640	3914	5162	13176	3366	36934	20333	9943	21290	10707	2973	31313	11636	7006	7195	7898	8063	5188	11571	4577	1270	12180	16778	12585	10183	8786
xylitol	1678	1548	1852	2347	1897	1570	1737	1744	1845	1697	1106	1199	1597	2206	1824	1943	1696	1832	1826	1521	2221	1877	2304	1925	1525	1630	1533	2229	1500	1539	1806	1536	1206	2145	1058	1556	976	1486	1323	1914	1376	1207	1291	1848	1374	1565	1468	2082	1708	2258	1753	1316	1926	1704	1495	1505	1096	1389	1150	1617	1043	1754	1475	1393	1608	1416	1558	1277	1380	1179	1750	1408	1138	1514	1612	307	2153	1681	1598	1468	1100	1308	1678	2462	1206	1870	1739	1549	1190	816	1631	1254	1365	2141	2209	1202	1455	1701	1563	1635	1409	2538	1009	2108	1913	1557	2641	1511	984	1337	1747	2387	1728	1404	854	2643	2386	1629	1916	1705	2042	1874	1764	1558	1836	1289	2390	1108	1218	2186	1257	1363	1305	3083	1685	1613	1847	1867	1624	1394	1782	1934	2010	597	1946	1808	1754	1662	1464	1363	1666	2261	1696	1617	1526	1246	1375	2109	840	850	1805	1202	1824	2108	1576	1566	1600	1589	2462	2077	1350	1868	1381	1608	2935	1912	1919	1680	1544	1853	1865	1473	1386	1753	1721	1955	1896	1475	2503	1243	1741	1388	1634	1859	1545	2657	1074	1847	2000	2221	2065	1483	1171	2239	1263	2075	2466	2143	1748	1739	1877	1860	1490	1367	2268	1848	913	1677	976	1313
valine	608383	486970	486237	445862	368637	492373	544521	440647	458480	331705	572513	560325	480143	470372	486878	497041	551375	446595	457160	473477	432654	485440	436843	440827	441200	463419	484741	527267	446921	599235	468102	516687	455458	431979	595895	420227	588995	546006	588325	507756	530683	432248	481267	564659	438525	26972	437219	458642	457020	440190	405245	568401	410939	385556	460650	615719	531304	472243	465326	482429	640699	583786	599563	501178	397331	608938	545220	434424	566130	492570	467237	453217	506480	457762	478061	445617	297197	516133	382280	498480	499800	394274	473986	489057	508817	511050	411862	574238	586548	644578	415144	414470	573076	727855	432707	441239	411579	489599	485066	550538	483751	487695	512481	480257	562511	485710	479308	502624	464932	391388	514954	525994	541433	502490	538209	427706	390994	426809	589951	713839	127914	460764	494557	497178	455169	442392	413693	731602	610904	530952	643847	765043	439529	458234	532634	509795	557933	625578	580490	489490	523657	455549	525080	455619	407633	579964	495468	418563	588077	563703	438131	444722	502507	474574	522685	429105	455061	460203	541670	238375	593227	564449	528945	503861	586744	406191	543996	505783	485540	386684	527910	509188	403543	396752	413683	483440	454606	521338	503117	574952	542445	545079	442849	472026	493994	490743	463591	434917	418143	453375	565487	581575	395524	599349	524110	463095	403204	559760	579728	596549	422360	492259	562064	548845	541447	441344	495426	460367	496622	518549	354824	608835	528090	470254	542595	455461	488927	35788	510483	517199
uridine	504	1541	1552	1942	964	1868	1273	1027	682	1400	1148	700	484	1372	1341	2745	3166	1723	607	2744	2247	1034	1537	655	908	1006	711	1381	930	1709	1924	1267	1225	2166	779	2282	1093	2613	1500	2973	2909	1403	902	1022	849	2639	1162	3238	1787	3228	1747	928	907	1807	602	760	885	690	1333	3530	2237	1720	1180	386	635	2832	2042	637	356	540	2095	1182	1263	923	2415	1389	1068	1234	853	690	562	1905	1072	2827	933	1403	1895	652	1818	593	2225	946	2627	671	1155	2303	1655	3045	2963	2691	535	1418	521	214	190	1260	1397	1345	1143	377	1013	2774	871	1036	1648	2334	1173	923	766	2761	922	1301	2084	812	978	1777	1597	403	665	5033	2020	780	1331	693	2282	793	878	2387	1072	883	1289	503	2671	3761	480	1689	2698	2917	822	539	596	872	3429	672	492	1108	565	2292	3252	828	3183	1089	2821	624	3174	1384	3530	1343	483	2754	931	1893	1306	413	2004	1076	2289	3538	2786	1064	989	335	1096	477	3738	1003	556	3115	532	1018	639	694	1394	5101	1701	2851	998	923	1523	416	1176	1469	628	1271	1209	1135	2290	1570	851	3270	1562	2009	1447	1075	638	1975	473	1067	1207	456
uric acid	183	4320	164	1473	1240	185	16756	1632	2563	159	1171	603	1820	197	1373	1163	176	146	2852	1442	177	5457	172	181	3732	8393	1437	182	1433	1266	3996	913	823	169	559	168024	647	165	2423	1428	1450	5438	710	163	846335	1268	469	2338	142	1808	164	2248	185	167	4016	1679	977	1893	1221	4013	896	179	799	2202	3905	1128	1924	3668	176	1689	3018	6733	1643	145	170	1333	1477	866	124	182	163	3505	922	2760	1209	2131	2864	151	1095	1225	2574	160	353	206	1748	2863	5939	2531	3775	1474	2961	14429	7410	150	167515	137	183	1179	640	154	196	15588	178	1111	156	3770	2281	682	1230	2589	174	4387	166	984	174	144	180	533	196	154	1112	795	2715	5623	18971	4128	559	925	3611	166	1160	175	168	1399	3053	19406	3423	1699	985	4529	318	1342	10277	9140	152	153	2733	180	1391	3450	168	153	8796	184	2338	749	1878	924	8968	173	158	203	161	1904	4538	149	781	175	2748	188	153	166	1802	146	187	2365	1096	2407	2039	4033	177	4705	2629	178	3194	220	942	1646	165	2417	140	6274	143	7082	1383	5284	184	5614	5086	1899	5669	3575	753	2056	162	1856	38370	3846	786	166
urea	706000	615770	526662	415457	547902	614076	657376	437575	622081	750471	545566	583458	614259	601477	105157	79017	519244	754809	612330	428204	864288	516700	612362	562496	461797	626430	554081	826113	612316	655156	690399	458290	448997	647677	643874	543960	377731	792368	607861	497390	775693	455539	698355	1034260	596457	535503	534810	281793	586378	654767	690515	583205	549961	812795	488475	124044	889152	582765	675527	692054	607399	861940	512301	586043	461628	375660	724759	763633	568288	543995	505834	440859	149452	771149	507032	515907	440640	435113	567108	621307	490881	502188	207605	331634	672551	433754	642687	770837	789345	906368	528054	644674	490335	603787	427831	418341	778997	830856	663083	432137	653699	639079	546806	544303	611220	459266	1004019	453454	610871	908112	771342	729946	1221470	661069	593441	522710	496785	733645	472830	733989	656068	549962	526019	481339	681157	721473	961535	733775	564114	541483	758764	658592	682420	493164	633138	621330	55660	538824	138933	826442	589728	677113	696424	452279	512233	613402	467083	631739	561137	767785	549494	392838	565536	675524	511467	417219	457553	521281	670718	185225	653183	676529	781648	499224	698887	574591	498325	636490	35026	405221	620761	812747	597228	664680	38449	596521	354258	797609	509133	290351	727310	560611	570484	724981	783542	828475	414054	418508	423848	721317	633050	720179	452954	561125	549415	929836	475916	554083	826064	340496	762103	718043	696665	82235	721447	424345	884752	557078	709372	634850	441021	567389	499294	407176	463355	564064	558015	652646	643065	938422
uracil	1546	4084	2497	415	1944	1545	1633	2125	2100	1653	1748	1474	1844	1945	1578	1252	2154	1377	1513	1128	1751	2071	1033	2339	1908	1522	2295	2156	1066	1472	1274	2451	1831	900	1267	1897	1255	1043	1959	1088	1294	1119	1674	930	1105	1511	2146	1364	1566	1785	1122	2317	1006	1724	1248	1572	873	1587	1586	1695	1371	1450	1092	1600	1746	1688	1893	901	1202	1112	2837	2019	1296	1255	1170	1782	3165	2087	696	1113	1370	1372	2114	3091	1281	1830	2137	1417	1267	735	1775	1113	1009	1924	1981	1819	1887	1191	1204	1345	1180	1701	1469	1786	1324	1028	1370	1771	1277	1190	2007	1444	1203	1009	1316	1827	2209	1196	1999	1756	1546	1101	3032	983	1431	1316	1786	971	1872	2328	1491	1368	1089	1529	1644	1198	1715	2312	1270	982	1313	939	2058	2579	1721	4347	2659	3250	1709	640	1727	2811	1285	1658	1129	1078	1026	1310	1708	631	1422	1667	1668	1204	1881	1482	1089	1193	1544	1992	1206	1688	1552	1486	2168	1256	662	813	619	1195	1165	1005	1261	1573	1289	1294	2428	3138	2652	1938	1983	2692	1971	1886	1857	1833	1557	1935	839	1886	1318	1977	1672	2745	973	2498	1187	3411	1280	2402	3650	2545	2502	2062	3008	2519	982	1394	1408	955
tyrosine	197197	141403	180907	247416	156822	211120	206738	218825	184520	158196	199989	195352	205877	156899	176969	203279	219871	188206	200906	225696	157870	210505	193046	206978	99865	143573	105421	179595	171204	97679	227459	184676	178288	115744	264811	171047	280788	156033	213463	176176	184589	168322	157874	173996	143706	239861	151612	281973	178545	227602	158804	199321	148656	218527	183596	190619	189038	184831	205222	207720	241346	206013	206600	179494	207270	305788	215742	166778	195632	254890	169210	254455	167035	162415	146044	154519	236828	173174	131610	157271	174985	219538	225222	307628	194888	188590	269350	188755	240361	157165	204926	157649	174429	207059	277259	209559	191801	316098	205767	217537	191360	194100	213890	239512	148307	149271	156484	149508	211468	155600	155135	165764	196434	199540	151711	198173	228418	170377	243748	262888	167534	192966	158599	160659	161625	159998	132948	278251	144115	111291	175120	230172	169494	272900	162839	165566	205967	333013	190707	128157	187002	172390	197856	230187	178622	228417	212591	209437	198253	195016	214488	291757	218506	227378	157212	215646	146971	136508	233470	79327	173554	189900	208953	173917	303492	199254	263956	184689	191184	146362	145495	162310	162198	189757	126843	116033	110356	125147	205272	181385	203277	146883	192262	172915	132083	186565	264181	206873	261535	155501	128528	246639	152987	175198	198870	150121	222802	238217	218298	185070	137930	270393	231045	322495	172885	159113	199915	186867	176838	182341	117614	174048	191592	168550	148795	154107	165197	151910	164137	125361
tryptophan	148633	46221	183332	118033	76203	171117	126535	78067	157991	144611	206934	134072	80010	88623	84365	193524	129338	167458	147666	199209	72722	103145	75252	134490	60823	98434	74615	38522	92380	77402	127614	91422	77957	54972	206603	195009	167520	100858	158581	93196	98614	132582	92677	87221	68474	137974	134575	140239	75637	85703	58628	119962	75606	107321	126482	102903	117420	121246	122049	221192	132189	160176	177058	140863	139698	164344	110819	123984	171348	195583	115399	157088	92663	153904	102109	69587	61433	48559	78123	110291	86724	103963	89156	101469	78590	151220	264862	47359	150502	105259	168734	119241	108726	117563	123496	119721	240253	169871	131091	135352	108363	84026	168269	79622	61134	82819	129838	72339	190470	35509	61821	103285	142836	116291	91390	91268	72808	51953	102784	157465	88249	152894	74155	93806	107033	72275	13652	137508	42504	67556	171140	93980	117634	144327	76429	61980	47095	151746	155218	47913	81826	95189	81260	205505	78178	190400	219632	119303	95093	99835	75487	50053	196070	163990	54752	187396	44149	65145	91797	69021	95255	72976	78311	83806	183045	161369	157340	109285	115948	117852	77021	175654	174533	136250	58071	70928	41611	41855	105924	26185	89786	92412	87093	37610	68699	51722	93454	73956	63745	164885	63977	135661	35031	140554	203129	117185	136781	186308	92443	67334	59677	203724	151865	148427	107806	87144	77290	100077	131614	69918	62555	78540	59595	68247	68942	42875	131825	73995	83882	44656
trans-4-hydroxyproline	17381	8592	16182	14776	6407	20543	18775	18852	19071	16129	11732	13349	15030	18348	15808	13842	21439	16627	17257	3536	16217	13579	18564	18517	6489	18535	13622	17944	14461	16770	17466	16943	6249	20666	15675	17965	12921	9746	11982	14899	16846	13724	15353	6258	16799	16964	16725	26121	14821	17100	17682	15333	16633	15487	15086	14719	15368	15051	18063	3432	15839	18583	20193	12720	15950	14925	16119	13857	17590	13771	13925	15585	17529	16215	2435	15361	18614	6941	12898	14885	3031	14580	3449	22976	14149	15267	2287	16616	17162	20272	3059	13017	9557	15271	21529	14304	16452	14308	19197	18345	16806	14513	20801	15997	6392	9255	19814	15751	13918	14261	22229	2284	15479	15872	14602	16745	18059	7702	20936	11761	1589	17002	13244	7236	18530	15006	17316	15699	5139	14811	14160	15880	15461	1271	14981	16496	10425	23498	26365	17559	16123	14632	4002	18072	3812	16997	2411	18710	14179	20435	13474	8028	2776	14028	12204	15488	4627	15901	14679	6826	16439	12301	20465	5680	12884	17781	14716	12762	14020	20958	17079	20841	17328	16862	18194	16339	6444	13614	12483	17698	14744	2941	12380	16529	17507	14693	23196	17719	20127	12051	23296	15438	13234	14977	11745	19790	17095	17628	6510	3950	16254	12611	10385	18302	12031	15453	17477	13749	13280	14524	16357	15555	7223	7171	15348	7194	14430	2286	17216	10181
thymine	593	1028	972	1111	995	752	765	1545	947	760	489	532	805	924	814	973	991	964	783	1092	845	530	947	1095	661	957	960	991	410	688	555	1217	921	661	789	1073	615	576	530	708	758	656	804	478	601	863	1065	786	712	976	630	421	1216	1052	755	738	570	848	1087	965	725	768	1373	1071	998	653	792	391	543	742	888	1182	569	554	473	595	1392	1163	420	873	379	586	1193	1396	726	900	1278	814	626	444	1352	667	1300	827	885	884	1413	1173	991	730	772	619	1132	616	852	624	757	638	559	397	1148	814	679	488	575	975	1228	686	769	1119	765	753	916	707	1226	849	797	683	775	610	937	731	709	790	766	610	911	734	743	551	729	821	1134	1316	536	1353	978	1056	1104	719	856	1167	635	1342	665	888	596	706	525	626	731	937	680	883	968	710	817	687	1017	1253	991	1217	1060	847	938	683	782	563	734	639	645	602	889	843	759	638	1241	921	1274	1147	791	994	801	822	961	1579	910	1053	468	1070	684	1048	817	1273	445	921	629	901	451	1235	703	1156	1135	649	846	944	393	423	649	290
thymidine	1071	1356	1178	956	907	1221	996	1833	1050	762	451	748	842	1246	1296	855	1539	488	1152	1058	719	809	1128	304	789	1564	1134	1396	492	911	241	1360	864	570	863	1652	787	576	639	508	892	523	1072	804	57	763	912	773	498	1093	921	1647	882	1206	892	754	558	959	1252	760	967	955	1390	586	1186	479	495	406	899	718	705	1137	700	418	434	626	1991	1378	301	872	547	489	673	1023	812	651	971	897	685	935	1851	865	282	1086	1341	926	1904	842	1054	514	988	368	1261	780	1035	528	952	777	636	766	1124	651	734	724	239	971	1404	796	975	460	1981	741	1007	657	1173	543	984	794	1113	736	751	1152	770	1670	1173	654	1431	453	753	802	1220	833	1284	983	511	1379	1226	1035	1592	995	710	1197	2202	1223	692	720	859	683	859	519	637	1343	882	1064	1423	568	519	695	1243	1458	1227	1472	1229	790	613	710	663	737	750	756	880	647	769	770	800	357	1917	786	1424	1159	1188	835	1213	735	1034	340	1101	1090	536	1540	885	763	720	1288	516	1121	823	844	414	1164	656	1485	1626	811	952	1355	571	2127	843	215
threonine	71986	59391	60278	95162	60658	92361	76942	88006	66453	44584	66972	82711	79779	66326	75682	92773	77305	67607	59833	91150	50481	68287	70110	84712	53638	61448	63527	69657	74690	86352	80889	99691	72656	53377	88445	63736	77678	56296	67707	75849	76418	60438	99203	76789	56538	98316	73818	58480	63250	76406	63285	100333	43808	51775	69446	70555	58721	78724	84583	77935	95123	84333	115691	66293	83729	84438	60136	62906	76364	74354	80956	98412	75159	67158	69647	79933	72037	78254	52862	67121	70280	77317	77174	53830	72670	80209	88611	85420	87034	91475	95016	51047	73157	97757	76947	70417	58651	77792	86954	94581	74407	57284	96268	47388	66851	50949	61926	74663	74016	43794	37443	71953	66632	103595	57910	73922	52855	94355	80579	101885	89291	74760	53153	82397	66514	61963	60514	104909	59934	54492	89793	86874	67552	56610	71564	68284	98990	62008	70438	56606	78283	60994	66939	85932	58520	104836	85514	60275	86998	71537	65685	68526	97504	65002	73781	80013	79240	71637	95816	49937	72555	79749	59601	82435	107916	81448	90338	75301	77575	53315	74826	88298	83153	88885	47245	56618	75593	50975	65854	78550	94082	67756	70073	63378	50731	57374	69320	82287	65891	67101	36141	59068	63237	47454	80733	45168	76088	86706	85211	100280	51444	62459	68020	80527	97094	62034	61326	65796	44542	64254	52553	73112	78681	79256	68526	77792	65377	67125	84123	26041
threonic acid	13208	17590	17364	14254	12451	13997	11646	19188	16526	14694	10611	12520	15129	24206	18502	15886	19410	14653	10994	14967	13601	11617	14422	14959	14537	14122	11420	15962	10681	11019	13707	12927	13807	10517	11188	14974	10242	11764	14472	12517	12421	10658	13899	11504	10354	16571	12487	19748	11939	15892	16605	18601	12294	13626	11630	13722	9503	11395	11292	16669	7321	10669	13906	9881	16820	16099	19743	13494	10948	12621	21807	11874	10770	9948	17917	13971	11754	16034	9962	9087	12636	11967	14726	12314	14275	17864	15540	14333	8938	10330	12447	10100	14303	12534	11587	13835	24017	22477	16411	17531	20829	10928	17195	7328	16947	10042	15847	13354	11635	10213	20035	23262	13826	11094	14418	15435	8715	12593	19624	16870	9040	9912	21075	10390	10895	10089	13322	10476	7453	14278	12283	10878	9629	7218	16313	11756	14512	7342	8108	11248	16666	11116	16941	22120	12397	24802	13966	16450	12707	14357	18420	10317	15709	22131	10173	11507	10553	14583	13701	6457	13226	10501	12351	12624	14200	9740	12009	11122	12493	10691	10408	17018	12354	13253	21244	13596	17665	11389	9411	3523	7918	9648	8377	12299	14189	11067	8162	17383	10434	10871	12975	10858	12615	15942	13570	14248	14350	14529	9876	17768	10434	14893	9925	15158	11136	19662	13449	18243	8947	4103	13684	15026	13751	13819	12504	14295	12245	13184	12535	2938
taurine	66814	166604	33130	94520	60991	62034	42308	46155	97867	32496	72471	93234	94660	32130	77063	83535	90324	41835	55661	70243	22919	88781	28358	20758	88315	53396	55587	25117	83039	35781	85446	45166	93310	1666	37914	58682	41505	64184	154795	88127	82922	72856	50518	55964	44839	69854	46179	129985	39282	77097	43736	86692	57241	20616	64154	112870	48976	40194	76053	72958	53133	56970	50172	66838	84582	97758	109634	40791	46400	111812	77373	39939	74586	44728	77360	61764	27453	68889	43111	32930	91118	108050	93321	141750	62920	122530	85378	56418	45876	29078	54017	12998	57221	117799	75041	101232	67104	57437	78898	124360	110761	69915	101296	60216	68343	25885	39755	68463	51164	34170	66833	92487	27725	63973	56453	116865	71267	48866	66672	44798	62653	40562	81957	73924	94781	57397	31816	52978	49635	60913	91610	44011	33924	68774	74447	80052	41040	56448	78524	45710	79513	79553	67415	74672	132972	37717	65455	63882	48715	27647	81039	50837	47447	73749	49433	19518	37540	46034	24870	29990	54730	45083	60560	62859	28800	53245	68143	67839	95889	20238	37047	52298	14976	78218	185358	5956	55859	31910	89176	23344	25651	78666	56497	95922	65608	64231	36924	137985	97169	62822	30089	116207	76639	78573	28346	3181	43612	65370	67800	77707	9310	130030	58004	104243	50086	101922	80653	135847	79376	97105	67433	67941	110558	107360	45099	82785	50334	68150	60624	94876
sulfuric acid	2634	10489	4434	13742	36757	9018	14883	8619	6335	6024	3308	14549	2135	29622	8829	565	1594	2370	3826	33504	7417	10201	11051	5111	4719	7102	11886	12833	6242	7619	10712	3612	5783	1284	6549	12702	7986	1317	10767	18380	11615	10713	6456	7961	12215	7878	10599	19215	19975	73288	17151	49613	24222	20592	4899	2643	16303	5657	24636	11106	3252	8366	20303	4654	5908	15113	5509	3600	4235	2613	3958	2139	13363	8235	25782	17089	10409	13595	5361	6495	764	7750	14788	52583	23002	50011	34357	19114	5882	1830	6976	11740	12128	25955	30563	10488	11429	14721	3527	29742	7638	9066	11443	4782	6574	18790	7514	22579	2534	7196	16982	24282	8314	16134	2445	15699	44378	13021	4162	5637	15841	3296	9065	8577	18171	25647	6373	8073	6999	33441	14794	20153	23811	17307	3972	6127	5712	15647	19866	27324	8665	5366	18130	29304	3859	880	8717	8936	4543	1760	7853	7795	29647	6459	7653	15368	15424	20605	10150	5375	9972	17122	7232	4652	2628	15624	14958	3529	15007	22905	8793	3672	21347	18053	11745	25309	7881	8631	1074	10030	7505	8916	23919	21725	4126	15337	6593	66504	61782	8193	10922	24000	11586	38608	5841	1055	14852	32023	7804	11486	2754	726	2330	13478	1614	3280	3222	2360	2599	16046	3028	32671	18975	10649	7489	11803	15162	1585	4384	8077
sucrose	515	102	287	476	29039	346	177	31099	116	163	1362	1579	463	715	103	307	321	513	204	516	134	294	371	484	560	219	440	305	290	518	290	305	135	451	1071	294	2395	209	750	378	253	238	293	469	92	454	412	5871	279	425	283	656	242	660	1923	225	547	666	263	451	2666	430	587	91	343	586	1165	614	402	959	488	460	413	472	339	481	457	404	808	594	492	466	293	163	1770	462	551	211	526	867	465	230	239	554	262	484	580	563	93	659	1346	1552	389	196	302	934	146	363	226	143	465	235	160	415	346	931	399	242	351	907	514	505	2538	320	309	252	212	484	51	342	406	826	434	2157	1947	562	453	246	595	384	285	588	53	616	184	689	238	454	253	365	984	370	187	673	538	130	479	368	313	222	512	1461	682	254	176	587	743	195	2311	558	137	1308	1077	265	229	188	599	129	250	68	86	531	2680	293	663	280	697	440	419	857	284	432	1462	488	795	674	940	649	188	546	162	401	1172	1151	260	269	209	631	323	170	383	477	1057	706	298	216	389	1195	225	211
succinic acid	6312	9496	530	8210	4982	4501	6154	9916	13038	8002	7583	7833	7871	9699	12863	7912	14604	15492	9674	6497	7580	5166	8043	6354	6984	6839	5800	8651	6622	8486	7765	12414	7230	8409	5215	7808	6764	7401	10479	9145	8331	4801	5217	6922	8963	10974	5808	13596	7755	15766	8273	13095	8349	7421	6758	10427	7330	8936	5932	11787	4987	6315	5579	9543	7429	8891	25052	5977	6499	8366	13150	5032	5982	4886	6525	7788	10621	7974	5219	3653	7478	9708	8540	16102	9762	9003	10867	5498	8686	6519	8513	5899	7943	13381	11229	14133	5824	4712	6975	6212	7640	5366	2497	8738	6451	7873	4931	12334	6426	5140	11160	11296	6732	7275	7277	7586	17277	10982	8205	11469	9007	6224	8173	9564	8181	10913	8830	5746	5716	12714	4112	9657	9900	12175	7246	7690	8968	9678	9351	8328	7178	11080	8691	6883	5336	9835	9220	24197	12009	9902	10818	11721	12436	7268	5251	4419	9981	8226	16373	4231	9148	6375	10623	8959	14628	6239	6241	7968	9067	6895	4736	5843	6071	6673	15780	6862	11449	7570	6059	4515	3016	5996	8045	6530	8838	5252	9620	12418	11215	7087	4337	6790	4854	7143	12385	9286	8774	10234	3815	3769	8586	5565	5770	15220	5713	8203	5707	8054	6072	7466	13995	6887	5310	7606	8196	6652	8809	13559	8338	4846
stearic acid	438302	267232	282933	392831	260135	506172	354566	329515	400470	411835	213968	247485	376521	441346	416633	590056	474435	353897	423497	427414	541846	411551	540580	581202	335542	364377	269077	678446	310300	299921	461891	311362	229216	435440	227580	320922	250411	369416	215909	349119	396083	299592	276414	424341	250297	446581	263621	506625	268312	422495	497666	365676	459592	336786	437221	350124	279159	372075	245524	428414	383247	501478	333207	367599	356054	412098	369283	391193	414679	358158	375780	453097	272869	363571	376450	238139	261933	291653	307030	489851	449620	366100	415013	438418	274125	370639	385684	298034	388129	378752	428370	295412	258820	493239	269293	400589	325659	430573	404227	401955	398654	327764	406127	302949	302527	297426	542633	307646	280164	331531	440100	391994	586373	266326	370661	431262	315118	292907	416462	475117	387597	355339	389759	250782	417180	299701	616727	359515	523248	266098	363420	264219	256036	432463	372363	330187	291655	381019	529467	307977	355277	379815	459534	407334	352258	460603	381133	280807	276734	393159	354609	224218	432165	492935	331415	287409	381944	419686	380746	217509	416305	305793	454647	428499	410473	300468	416580	328930	358913	342391	297860	554816	344062	405416	437340	281772	243886	481501	353299	438323	403714	331351	231802	428057	409672	280009	294043	352440	290269	259725	393438	428637	290300	490722	393757	598307	279169	429598	449279	374811	349535	349979	259155	438362	283864	461603	478036	387623	342631	288509	409291	287672	274132	258273	440639	328901	353398	1052739	302031	414940
serine	50552	48427	45552	71534	53282	68911	47177	78839	52935	36292	53274	67976	59741	57583	63076	72975	64784	42355	41642	67610	33958	47373	50734	52575	49559	60116	48577	43534	52256	47683	56553	68018	59220	30734	61236	46900	61428	46583	45194	56856	47251	46237	74921	56989	44424	71854	59092	46700	35716	27490	46862	65742	37565	35575	50608	50770	38703	53357	54700	53785	69946	57783	78638	40754	62952	64955	40808	37067	53363	51030	71627	72439	49929	43492	58444	56776	76528	50859	37984	45654	54804	57887	58861	65580	55151	58689	66678	52889	51873	63606	71580	33368	54065	58759	82655	47393	45393	52679	67879	56179	50438	51923	69450	67731	53402	38060	45549	61983	45662	36175	24751	42811	37647	67414	47176	61290	74386	70098	64376	69124	56783	45028	47503	64839	53376	45577	44643	64420	46145	41855	65275	55288	44704	74710	50987	49556	77283	83560	55927	57333	55770	41734	54394	73861	49562	68609	67598	39719	66946	50476	45826	105948	58158	41727	55131	57918	60003	50068	45288	28715	46215	55726	39410	62877	58773	49917	67822	54554	56589	40858	44462	53342	46872	58250	26963	36664	62175	42635	55209	53477	57997	48729	37121	52776	40500	39132	96961	58923	77104	35897	26238	36924	53317	50020	68524	26322	56761	54304	64136	67576	22358	63144	47304	64642	51429	50453	48104	53317	27961	44284	43502	46313	59169	70834	61164	76287	52419	49165	58084	16906
saccharic acid	572	1367	773	1307	1038	740	885	902	933	564	825	738	814	1750	1199	685	863	660	750	994	381	1064	851	849	814	661	844	789	806	746	1118	674	954	1157	705	887	1023	610	985	1034	1078	850	717	805	893	840	629	1206	1278	1224	1186	2092	1172	1112	1061	953	852	1120	700	1266	491	678	839	811	580	1317	1445	737	742	1089	2070	1202	637	598	758	935	625	1473	643	791	596	1348	1513	1141	841	1505	1255	1152	785	588	812	986	465	770	516	869	612	815	583	1202	1202	879	1015	628	1634	798	975	829	777	676	1088	1614	717	1070	652	1490	888	930	1866	954	596	766	1071	627	1113	421	811	900	207	1155	779	911	996	186	1288	743	1255	437	1017	803	1495	794	1492	1502	685	1117	1585	888	933	606	1468	792	1009	1029	798	802	746	1273	1495	408	978	585	906	941	1211	808	879	1018	1408	1033	492	726	518	885	1403	842	1435	672	779	705	479	535	1055	640	825	1324	867	1568	780	924	498	1326	1314	869	993	545	1098	1012	865	1510	1134	720	292	238	714	1226	264	1690	643	1233	929	1081	1262	823	894	768	322	826	745	566
ribose	10195	56070	34837	14581	7600	5311	2239	10517	9350	14682	12531	4894	7897	685	3186	2011	11120	4016	3501	7688	13736	21199	13672	8400	19836	6910	14798	5085	14976	11375	22359	5320	9052	4775	3939	9712	2905	2135	20246	8438	6656	17204	8514	10898	1399	4223	3411	9187	5194	6242	4253	5916	5281	10145	4601	9777	5757	5645	5746	2405	2864	8327	9203	4540	6766	8545	8511	4425	4972	10186	7413	6150	6017	12097	671	22062	9217	5071	4677	15271	25149	15249	10979	11848	8154	12699	7005	6814	4738	9426	5624	10371	8253	9800	4948	19017	6151	3257	2976	7154	3967	3386	3867	3515	4248	4347	5081	9433	3917	6636	4538	6661	6732	7305	3946	7158	2487	5780	5465	3132	6617	5005	22736	4632	3766	2284	4196	2074	2648	5680	5552	1380	1854	2641	9910	3285	3801	2317	3369	4275	4655	3217	5719	8944	15012	14761	30402	16374	3540	5949	4084	8067	7963	12368	3283	619	8994	2450	4927	3186	4062	3666	4106	2525	3880	2889	4751	3275	4089	4049	1198	3451	2471	6059	14832	3126	1480	2918	11449	6048	2345	13364	5796	1261	2195	5801	5669	24398	4590	7469	24593	24765	18048	6762	6944	4787	11986	7859	1548	10957	3750	15769	4084	27268	16667	11782	2977	39465	4589	913	37494	3542	1286	24781	12226	16561	22768	10035	8799	41802
ribonic acid	621	602	577	952	775	740	775	967	747	547	707	553	728	969	1015	761	749	915	696	834	676	998	388	782	634	736	848	734	721	653	771	958	863	752	803	837	733	707	773	923	786	664	785	844	662	890	1247	982	674	983	915	958	912	838	930	726	835	910	898	1057	1069	768	1028	599	1234	968	896	893	803	983	1102	839	879	389	862	872	602	868	676	818	539	785	865	628	1213	794	1261	803	699	709	985	644	1261	607	453	545	531	650	728	902	784	491	820	413	603	447	601	749	699	455	839	935	801	376	697	1133	749	827	1060	968	669	636	469	949	1128	511	869	548	990	454	1067	631	951	915	664	544	678	631	900	555	793	698	761	1053	571	998	1116	1215	900	927	624	552	946	1472	601	435	792	611	794	313	674	936	657	743	934	676	959	728	727	1135	745	821	630	754	1180	967	1052	642	284	878	367	518	684	628	834	534	616	938	605	630	681	950	589	1118	796	811	792	929	905	840	610	843	782	591	634	880	1000	953	527	660	521	735	544	564	553	830	757	1176	954	553
ribitol	869	821	724	1054	903	850	706	1069	838	915	772	906	687	1810	1159	944	918	837	866	952	1310	886	1043	1021	654	931	1053	1242	937	881	838	749	944	897	621	846	949	631	849	981	756	899	698	800	729	942	418	1043	516	1013	864	856	1089	1099	782	886	1037	748	781	8520	907	915	499	861	1183	666	888	637	742	680	1175	1060	823	970	5488	814	1000	841	898	1004	809	844	1038	1014	878	1123	1256	972	751	622	1372	805	1172	952	787	774	915	814	814	1034	818	892	913	816	789	630	1113	756	667	517	349	4801	1022	870	883	1006	865	852	1059	1106	6890	859	949	761	1327	614	1049	973	588	729	941	911	773	5708	946	830	855	911	1042	647	869	904	944	907	863	840	1171	880	902	721	969	545	6428	1179	703	655	708	1285	164	479	785	546	892	742	963	636	856	592	1184	835	804	1035	829	797	1362	732	476	969	1011	989	695	712	786	909	954	952	873	933	1041	800	794	977	956	882	797	1066	688	1201	841	1058	799	517	636	6048	761	854	991	1095	833	714	817	889	713	847	890	477	995	1080	877	1070
raffinose	36	124	195	760	603	794	966	714	66	367	796	1257	1055	658	541	43	853	770	34	588	288	380	804	919	74	235	727	161	739	648	1011	457	43	1193	1286	162	4255	1168	1173	1415	538	1021	1169	958	908	723	1065	940	753	543	912	1255	479	599	344	25	942	768	813	2128	1161	962	886	67	1294	785	1961	943	582	1885	472	417	576	835	581	644	235	308	675	526	43	1013	1654	1470	785	84	1547	642	1135	42	973	958	658	69	641	57	660	1508	57	916	509	527	31	55	47	166	634	1167	700	438	48	636	716	694	790	429	626	1064	1517	1662	785	877	186	965	416	440	748	30	64	93	1065	734	1671	587	825	152	900	867	751	861	1001	47	102	1004	332	388	394	473	1216	68	552	843	1445	372	893	945	1402	543	1533	470	629	621	1473	26	1658	527	1726	1103	43	145	495	759	784	48	839	586	1237	921	233	853	787	17	685	1048	502	840	406	655	403	1637	44	1490	290	330	1961	1627	1023	1756	763	38	1000	562	370	1145	843	254	841	893	516	844	781	268	665	618	410	732	334	1053	826	212
pyruvic acid	4873	8940	5049	4167	7125	1664	1457	7230	3847	10268	5490	2320	6664	2909	2916	6672	2550	5093	4827	1051	3273	9829	4186	7277	11948	5893	7956	5836	5880	3168	18172	8146	1613	7198	3063	3746	2320	2919	9616	3841	4246	8293	6723	6244	3336	3161	4163	578	3178	3593	6530	2809	5219	8971	2818	1499	2976	5848	2895	2218	2078	2868	3712	5879	9887	3244	12575	7773	7456	7753	5192	5317	4336	7987	9870	19401	2855	5940	5783	4925	10424	6514	3387	2452	6561	6542	1762	1552	3603	3477	2646	9438	3772	12069	6003	3042	6685	12639	1647	2940	8806	3134	2584	1430	2810	10903	4823	3038	2700	5179	2840	3761	3802	2965	5577	1307	2518	2855	4611	4129	2364	4235	5192	5994	9503	5204	5505	2978	3382	7088	2099	2446	3919	3076	2683	10305	894	1431	2907	5882	5010	7814	2017	2816	8656	2334	4543	19046	1446	2704	2383	6385	2009	15387	4558	964	8652	4389	3373	1372	6611	5100	2160	5776	1214	4672	2646	8659	7237	5460	2389	1594	3539	12060	11912	15035	3156	3973	4647	1470	8248	17167	1182	4742	3919	4010	3706	8265	7400	9893	15338	8785	9221	1197	4494	893	5832	3837	591	4088	8012	8222	5587	8178	6429	7296	8578	20245	6023	2969	9622	1190	3316	14809	7790	3204	6308	1730	1158	6739
pseudo uridine	4556	4884	5086	2938	3697	5788	4249	4274	4254	3644	3314	2559	3292	5113	5009	3697	3360	4083	3776	3746	3721	3611	2778	4154	3660	4363	4121	4067	2572	1882	2807	4712	4168	652	2865	5680	2657	2502	3094	2380	3663	2765	1773	3521	2446	3866	4821	5312	3088	1579	3939	5169	5029	4123	3121	2265	3091	3464	4222	3899	2666	3640	3643	2273	4102	1713	2223	3054	4493	1308	5835	4861	3981	2908	2623	2749	3333	3067	2275	2295	3074	3872	4333	4248	2592	3174	3595	3844	3245	2485	4978	3868	4135	3943	3739	3825	3631	2573	3898	3725	3756	3101	3162	1476	3812	2812	4392	2585	3884	3750	3802	1018	3523	2923	3311	5889	3478	1471	4754	4121	2944	4615	4796	3716	5180	4620	3644	2932	4588	4909	3511	3431	4348	518	3791	2171	2994	1753	4358	3016	4240	3353	5076	5053	2776	5961	5797	3391	1701	3126	3197	2524	2891	3575	3770	4166	2561	3319	3714	2351	3613	3686	2993	3018	4000	3131	4075	3223	3985	5468	4103	4066	4803	4571	3127	3414	2857	3391	4002	2585	2774	3068	4318	2954	3485	4333	3603	3581	4241	2584	2535	4886	4338	4587	4161	2332	3752	2053	3070	3532	2374	4470	3909	4872	3077	4371	4456	4848	2192	3478	2789	5851	3115	2503	3551	3464	3181	2912	3431	2560
proline	58299	115815	125903	120242	135323	158499	192982	88967	140174	141072	63648	127001	150925	156381	181344	43610	164556	132428	45034	128189	155175	49691	131170	150770	12265	21551	30772	155987	131695	173921	72449	70924	49415	119485	47219	141268	82956	158570	58515	124471	122883	134918	149668	46003	148002	135587	55787	158834	142743	137959	154538	124438	158970	145026	40482	47696	157907	41542	143746	119040	52742	170340	92467	121999	145005	53394	104158	124108	75032	21592	111578	53933	141272	120497	137688	69471	55382	72097	114961	72982	164665	101830	159044	122942	84837	109713	119191	179396	122615	82148	141031	141023	49422	73397	74010	82440	154309	133822	42173	131646	53562	163243	76118	140559	78478	123536	164013	58044	40364	54218	204051	128441	148045	115215	146805	129474	63134	92774	52013	142907	144385	129520	129887	113450	45880	135124	154110	141204	158545	110937	40536	77374	128179	122831	141640	59007	148587	78093	163408	182371	63655	158482	136092	127758	71649	149391	123295	121605	108450	185034	76269	190026	111263	128708	56149	131078	85798	167056	122776	64474	142013	155363	159367	96302	132223	47248	39412	48021	56902	159707	202588	149754	130561	139817	132756	131397	95453	164622	29636	183717	65770	27658	30983	143126	168994	149421	129647	108194	86598	117534	231764	130134	132093	147579	31082	178818	137652	137173	90899	97999	125582	28179	123015	127665	70406	19237	158233	118375	136997	151393	102790	157957	89299	83428	140930	98926	123836	116370	52587	148754
pinitol	946	890	1177	3100	1698	1549	2021	2046	1229	1404	371	2119	2367	1923	2406	2471	2056	2229	2007	3223	1532	1597	2232	2084	704	1212	1472	1514	2523	2044	2796	1760	1594	2220	2317	1881	1409	1515	2439	1159	2284	1739	2274	763	1873	1746	2142	2256	1580	3309	2819	2442	1002	1590	2923	2098	3362	599	1646	2142	1978	2076	2368	1949	1990	2813	2871	2679	2778	2441	1671	1929	2071	2146	1228	1731	1391	2066	1390	1798	1507	2011	2883	1435	1861	837	3495	1033	2256	1147	1648	1558	2407	1317	1069	158	1981	2663	1678	2635	2878	1256	1073	1525	2099	1553	2527	2357	1912	898	751	494	1630	921	1867	1962	1386	2419	2682	3082	1698	1601	770	3089	1880	970	1676	1786	640	466	1736	1903	1856	1368	1615	1471	1968	2257	1698	2284	1996	2076	959	2331	1521	1512	2229	2182	2948	2197	2226	1683	2558	928	1493	1313	1125	1441	2750	673	1446	1338	1524	1582	2165	1893	2351	2191	1971	1143	798	1603	1848	1490	2949	1369	1318	1297	1152	1674	1371	1688	1172	1517	808	1201	1470	2488	304	2663	1739	2184	940	1579	1512	1897	2746	1989	1408	1289	952	1531	1585	3250	2073	1112	2073	2232	1043	2233	1341	812	1177	1377	1048	2374	2688	3148	2509	1296
pimelic acid	1175	973	2690	2733	3788	1990	1965	1616	1397	982	962	932	1775	1269	1325	1207	739	1422	1552	1899	2016	659	2005	2772	1900	1722	2406	1773	1537	2398	1745	473	1648	1624	1318	1875	966	1331	1456	2261	1725	1690	2075	1796	1561	1585	1113	2359	1688	2066	1125	1897	1872	1262	2095	1611	1004	1350	1078	1851	1376	1648	1087	1326	2430	1655	1770	1199	777	1668	2130	1770	1487	1001	1429	1556	958	962	1091	1117	1131	780	1264	2192	1083	2256	1317	1700	1514	1173	1972	954	1284	1949	1179	1144	1259	1358	1128	1651	2023	1112	1555	876	1018	1168	1868	1099	1157	466	1649	2151	1396	761	1360	1063	1292	1331	1918	1225	1369	1109	1344	1736	2299	1582	1103	1210	644	1111	1071	950	905	578	1885	1914	1561	1492	2278	1360	1429	1655	957	1541	1322	1575	1632	2288	1340	997	1351	1038	1438	2594	1078	1546	1920	1549	1618	813	921	978	1521	1422	1536	1336	2823	2835	1608	2115	1038	1597	1338	1790	2505	1720	1895	985	1435	1363	1367	1273	1761	1289	1686	1460	1257	2390	1274	1928	1531	1890	1877	480	1329	2396	1562	1914	903	1109	1194	838	1035	2419	901	1238	956	1755	848	856	1497	1014	1089	1613	1445	869	1495	2087	1470	2812
phosphate	50692	4823	14724	8088	5317	10541	8941	329	6586	13726	6545	5210	12645	53675	9617	5990	13156	5746	11728	10034	57793	12854	33644	91461	6096	973	2185	23021	5715	6277	8370	1340	6000	20201	4385	6058	4932	9768	9018	7545	7587	5301	3086	31886	7672	7985	5968	14555	10863	16258	12212	6490	6574	9675	11187	37448	4946	6281	5478	5186	37097	21622	3906	17688	4614	5661	8472	5938	11997	2888	11389	16703	7256	11207	12472	4078	3989	4009	7173	13050	12241	6779	17430	15433	5236	5073	7209	13403	6765	9738	4389	9998	2299	15737	6707	6218	6874	21562	9573	7867	2778	15082	10630	15410	7124	4517	35960	3177	6885	65990	10173	13928	12254	3180	8078	4606	5996	1434	5125	14165	17191	6461	22283	1891	7001	5009	8790	10458	81658	12160	9182	3424	7384	6477	14950	12418	2840	9854	18687	16990	5009	6433	21180	12447	4095	18220	18746	6576	6506	18404	14885	4569	12637	5498	6196	9384	269	7010	10823	4385	11144	19616	16517	17963	14771	7715	7958	23950	5069	10440	9610	26492	10420	2705	25599	78104	7281	156	8446	167	69145	6716	3188	15276	24481	7924	1675	11393	5719	5926	10499	12318	8155	12299	6018	196	2801	8140	14365	14041	10504	4924	5967	5696	10189	3931	35370	7914	7953	9580	6580	11448	9669	2163	25945	6687	7758	19699	2575	17617
phenylethylamine	958	658	770	299	963	2628	2196	4335	2584	1876	1755	2086	251	1399	619	1294	1202	1141	1548	2734	779	1157	1986	872	773	655	811	938	588	779	1138	1063	743	1343	1016	961	1444	583	2116	727	519	661	2843	2104	336	224	2189	1468	1198	1387	1434	683	1124	271	803	922	1102	788	1654	867	1164	2121	2386	808	1664	4961	4472	818	1236	977	288	1123	1270	2292	348	1164	2356	1460	1006	2042	1515	981	2920	8866	2750	841	443	1893	2545	4708	1026	226	180	2041	3318	2555	395	342	2133	277	2236	388	1232	1228	1385	1631	1128	1934	945	679	882	189	1172	2712	222	1396	1157	2090	1880	418	631	1641	184	2772	1419	942	926	2358	1711	1027	562	1884	1827	266	523	3568	852	5036	5263	3666	841	2198	1296	782	1164	238	310	2300	2278	2836	1458	4080	539	811	271	644	1367	1939	363	71	712	934	2695	1559	415	1044	1633	775	500	2101	732	780	1983	3227	890	809	2482	1219	457	1224	763	924	363	2547	265	584	4976	1903	2749	890	1865	1833	933	1898	736	648	1642	1821	1846	1280	1265	262	1731	368	1979	337	753	264	1144	1457	1699	989	1166	1003	1140	1660	526	154	2776	221
phenylalanine	50680	41125	44745	51080	41298	44923	60760	60299	49142	40385	53871	56278	47174	37934	52344	66256	52668	48653	52073	53446	49818	44385	50912	57031	33662	47396	42415	53244	42054	48877	60595	52695	51977	40446	56107	39692	48793	45521	50125	53133	44784	46529	56835	58522	45886	56890	54930	43844	45662	38540	52844	54292	41598	37782	54323	53936	55746	33360	43326	48191	53502	56069	55303	39550	45724	44697	43451	40135	49151	53568	46479	46011	52677	41131	43271	50794	61284	47579	38635	43721	48156	46609	62556	71398	47034	42513	51843	53045	50353	53765	40989	44001	51015	56102	64518	43515	43290	46314	45089	63982	48403	58502	51714	73423	45851	40619	52410	43104	54174	29084	32683	42226	52992	51391	44105	51987	60030	52335	51974	54604	50628	50238	43121	59228	47259	40964	44152	58446	41150	39391	50059	52023	42639	73446	38894	45071	63146	103919	53626	32800	51908	47753	46459	56903	41792	51046	53417	51698	63043	49571	51746	84528	54530	53050	50996	56189	55703	37171	39052	24067	36111	49455	35427	40473	49213	50737	58319	46088	46273	43477	48508	55020	52425	47251	53605	43087	53718	56713	49693	51148	52174	50182	41054	44342	32477	47137	86386	42766	70066	41628	36306	45485	41033	53448	55505	50867	48655	63341	60139	53108	40625	53834	52860	69361	44956	35997	49466	46870	38414	49479	29584	52707	47151	51508	34035	49782	46813	51126	56995	24528
phenol	14079	22962	16769	17408	18313	15746	17710	15585	14754	20160	17750	5101	10843	35463	17651	20795	16218	18246	16460	12881	5109	17529	4024	16747	27757	9959	23316	7951	19571	20798	21309	9997	6327	30369	17568	5440	5152	14432	18783	16039	2188	19950	5429	21233	17723	20087	10403	26921	3509	15724	20701	27456	30931	24043	14372	7976	17606	19067	17010	22835	12206	5964	5184	25416	20232	17083	18279	18813	15744	16740	22301	31136	7608	10192	12654	6555	4619	12778	17594	18220	30154	25930	20322	26979	20663	26093	17843	17852	16167	15075	12356	8260	16720	23933	18289	13655	10030	33256	7103	15079	13551	7317	13444	19185	7861	21456	6172	4331	6642	26620	34261	15118	16764	21829	18629	14308	10765	21509	18474	16832	19205	15907	25479	7694	15341	25115	7996	13375	7030	16395	13607	14609	8480	14836	9423	19398	25211	13395	22768	19643	20994	19460	7610	13447	21371	10743	14477	21742	20665	16020	20956	5798	17105	15477	7017	9774	11137	15445	17653	8475	17008	22070	64906	7173	14621	13147	16232	20045	18338	9597	18309	6744	13225	16859	31188	13907	14041	6868	25877	8307	21084	9303	8308	19691	18093	20234	3792	19136	19276	10424	16371	20564	18158	33913	19728	19724	6968	24555	11114	19970	7803	14244	19595	18767	18143	28731	9967	22203	20371	7980	12588	20320	7734	9833	20582	11693	10851	25469	23360	59304
pelargonic acid	21692	28695	25779	25719	30109	32711	37731	38050	16217	28401	18644	15474	32948	25181	20155	25712	39771	23079	18132	23251	31201	12142	42581	31872	30610	34808	25244	24104	17056	31016	13366	34435	14452	38531	27173	34732	19775	16007	19247	17781	17754	21718	20008	29717	16033	33696	15583	34748	23062	21918	29365	21860	22260	24502	20415	20090	30753	36218	40357	33112	26202	14772	31586	31971	20224	20371	26716	26009	16121	18226	14085	14379	32692	34941	21186	24798	28427	23249	23851	22590	22302	27730	27185	9471	16775	43923	40861	30176	28881	31236	16722	27507	22021	28233	18222	16671	39724	27927	36480	24587	17552	20824	14310	14067	16465	29770	29595	15980	21766	19292	3911	26498	15729	26828	33382	33106	20083	39795	36980	27141	39339	35413	26151	23406	22191	20543	19558	16526	26253	16384	41016	16122	22638	29892	22014	30863	29471	16523	54881	34762	36244	19380	26360	34267	16094	36215	29290	26342	33461	13546	19245	19196	25851	37644	15979	20657	27008	29628	16773	9934	45875	34481	42484	20672	25641	19184	24614	28291	24923	30691	33066	22905	27516	27035	44074	26677	22685	13246	31953	18085	30551	16092	27588	36067	22399	23859	28231	16693	26688	21712	42845	29850	27111	24846	21972	26301	21092	17070	26243	23195	26582	28922	34046	41357	23770	38551	26909	24196	21428	35735	31144	23787	16912	33423	33979	20057	11790	26900	26648	22826
pantothenic acid	928	642	1386	671	613	546	426	1130	620	181	1053	1094	603	864	758	1053	216	995	1101	1314	591	914	442	807	113	1339	1065	584	523	397	728	1226	678	820	1233	1518	1401	607	1019	749	849	708	924	370	400	857	1080	381	473	535	502	1224	871	182	881	878	960	1170	1413	220	855	1287	1277	1270	1096	1391	1231	562	952	1086	902	505	569	1154	531	258	1614	854	707	83	812	1100	964	1031	555	1364	2199	1059	331	1147	2067	1210	1538	946	1446	1293	1852	2203	1095	1219	1083	480	726	942	1112	141	51	409	1048	541	555	932	1508	682	1064	903	552	560	839	1544	972	79	649	654	1256	711	526	1084	645	649	872	1283	1096	1456	349	465	590	384	1853	671	621	650	531	1318	558	1130	1426	1039	915	652	897	205	1428	1574	429	1251	497	555	407	624	722	492	666	706	1784	1289	130	732	644	1188	1155	1209	1125	685	1213	581	902	582	1509	1217	1308	571	85	502	496	806	1148	641	422	1030	606	1807	713	1423	668	1337	1117	1907	420	364	516	1221	968	1070	793	788	775	763	842	809	634	554	690	695	627	699	615	912	1081	792
palmitoleic acid	484	921	525	246	271	502	599	779	831	306	154	238	811	746	634	488	627	447	535	362	859	742	799	912	502	553	461	710	381	872	309	521	1232	351	188	646	245	345	250	460	639	558	405	419	812	438	345	923	413	456	416	555	1126	686	249	171	437	197	506	450	199	448	512	227	732	167	243	219	229	268	307	512	376	223	376	535	291	839	306	336	468	470	264	760	233	557	517	728	242	515	742	458	385	823	882	506	948	429	486	630	589	460	449	507	528	577	608	406	175	497	872	528	255	340	339	612	575	517	268	298	56	241	512	430	726	341	457	383	458	846	292	243	419	68	234	596	444	181	488	275	962	477	377	510	410	605	568	331	273	253	473	275	430	629	568	84	698	865	322	226	479	402	672	652	443	364	277	240	467	682	302	481	267	584	682	562	206	528	363	495	375	564	187	764	747	402	464	536	719	519	892	428	469	917	457	1031	396	284	182	274	360	350	360	399	132	655	410	723	224	452	717	589	348	956	185	265	280	203	560	623
palmitic acid	71097	54602	57624	72602	51691	79490	61863	58228	78572	62723	36831	50682	68776	80648	70256	109904	79006	62092	77799	71388	84655	74478	86440	95880	71161	66217	59398	118344	62706	50647	80204	60120	56949	85260	40521	64238	42877	76723	39123	62943	64832	59269	50974	76705	51150	85429	56355	88373	52802	71106	89129	75049	98620	68559	80243	58280	49225	61939	46260	84878	61031	91384	59862	59698	73421	65761	60336	68905	73973	61163	76429	88554	50238	69392	68508	46768	53555	61205	60878	91816	76863	74300	73149	72375	44091	69924	77061	55547	62912	74165	82851	59218	54315	97843	49284	78311	60693	74714	84195	73260	88367	68105	87265	57860	69005	61660	93411	54915	48656	62477	97960	82896	83940	46380	68488	76187	63678	58672	72915	95610	71971	61138	76065	51637	91681	64256	103802	75321	93499	50444	69757	46200	57240	91948	68688	66669	58757	62645	90596	60783	68680	84120	76695	75179	63236	91663	75526	48507	51003	79862	69636	41533	83157	85907	60563	53934	78092	89157	76808	38282	73026	55081	84963	81900	81850	55625	73142	60168	68608	74022	62149	86713	61181	74252	89570	56772	47448	90808	64401	79761	71392	65641	47011	76411	76014	56973	59572	60422	60073	44038	86552	73254	48711	94532	83258	101894	47994	72572	76385	81872	69477	65359	52433	87466	51915	74808	82447	78645	69095	54791	65749	51907	49678	48707	70434	60344	59827	157717	49444	85933
oxoproline	536999	445264	505332	413594	459824	622085	567599	583843	616735	497836	357432	385954	431488	593505	472653	483758	657215	480203	589432	502434	501256	467661	544979	532554	539732	570446	382963	486105	409480	469317	501447	516370	431918	593936	475665	589127	369620	315434	354133	420878	400703	419566	461145	539244	492564	490068	477141	668042	475184	451290	511342	455989	503845	477185	470022	447523	438001	441865	529274	509257	60772	546004	567056	373613	512843	449537	455865	426834	579967	419567	410712	498861	481636	431475	383318	406301	528972	409638	387193	430500	454528	458599	544403	606915	434373	480367	440523	479804	481418	615905	503220	379818	265360	506630	635308	516967	515790	404344	686764	456440	553098	445714	630209	548974	415221	388696	560174	462737	415719	486653	715033	225550	453409	446903	425354	444252	526476	427454	566122	399164	427503	547513	463521	415070	551072	441948	460850	428311	476921	463329	422132	446144	444218	428541	466416	511706	394773	660659	663138	529657	498219	492787	510271	511248	367844	557770	523733	535473	393906	570762	475031	561667	414727	441795	376886	483372	433076	459712	432262	194719	488529	411662	586667	553033	394767	542705	467905	374840	470937	642285	511987	609410	524901	577529	571717	498034	470998	436986	399975	549432	480853	394685	356380	475066	517437	409333	588290	486504	588986	387302	688752	386179	385133	462815	438364	650946	473916	414259	420129	544704	458096	415517	342805	547987	382536	465962	499970	460965	382422	423094	495960	456122	358433	412304	475384	491225	465760	449866	531774	356879
oxalic acid	37	26	33	550	484	37	154	33	33	3347	136	25	4981	40	36	38	1325	29	31	513	36	30	35	762	30	33	28	37	228	719	31	30	28	34	445	185	320	33	166	31	236	409	28	855	760	1379	27	549	29	739	33	340	37	34	32	65211	684	60	263	849	133	184	391	156	34	129	547	756	36	86	32	37	156	611	61179	27	3417	28	1724	37	33	433	125	395	138	233	1579	234	325	32	36	32	120	42	30	30	1671	506	35	1248	34	31	31	30	2843	28	37	28	79	31	40	262	118	28	32	184	32	31	245	37	922	620	34	28	35	179	36	30	40	338	138	173	373	511	154	31	33	108	101	34	32	36	34	3039	26	428	7644	545	27	32	32	22	920	36	31	31	30	36	433	846	219	31	412	37	9348	112	32	81	36	35	32	267	33	32	777	30	23	35	177	38	31	34	218	191	38	216	29	1375	28	106	36	229	129	36	67770	45	265	1210	33	34	2084	119	163	501	25	127	37	6353	443	197	85	428	430	26	136	33	256	684	567	34
ornithine	113061	89175	83977	133463	114186	99418	88630	91210	74588	45198	150540	147615	111574	52031	106406	130507	75944	100455	102630	101929	64927	137455	91101	88806	50431	89022	65718	39041	118749	69999	123216	113319	98352	8016	139577	117102	142668	125290	144669	120739	132856	113238	119010	100117	61825	140649	114537	87846	52472	87116	83300	123961	74715	56098	128441	167143	80950	108435	102022	109066	187002	115758	126835	126733	116940	189883	93979	124821	137037	185097	101811	141022	107282	79308	80385	91591	49087	80438	77202	76660	97222	176285	79163	103481	136574	107674	134059	90071	140748	71650	152320	51052	73113	146809	110540	113503	79924	131821	116632	148608	127882	112167	152735	120770	109110	60866	116644	78920	136684	74603	24668	100455	127992	166903	93894	129145	76578	93430	113042	119833	82856	148951	85804	100269	118788	67652	83441	125032	57579	72841	178846	116089	117184	107467	143804	77165	100648	137769	66843	56998	141221	85203	94776	152380	118707	115393	143615	112379	119618	69676	139754	114377	114166	142817	75290	126719	75024	76654	101818	43170	74274	101758	23272	114372	141431	165511	160820	206038	154966	61148	78359	162545	96143	139660	45582	41941	100144	69276	134588	46270	91724	111118	103324	79836	56415	124848	113898	83120	106612	91207	7329	79957	82889	107969	109640	24387	109605	91137	139893	113802	88511	124073	95127	89947	119400	97737	70654	115379	93862	83056	80083	77681	113326	91919	68887	73474	101283	107496	94287	1872
oleic acid	11086	3493	5049	2775	3035	4295	4535	4014	9254	4742	1707	1851	242	2373	3822	10647	3547	2331	7764	2163	6076	388	3959	5154	7203	3582	2959	4554	2237	4535	2676	3750	3240	1142	2428	5072	1887	784	2096	2418	259	550	2932	3475	3435	1909	2273	808	3810	2449	4255	1546	15858	5924	7090	1598	3025	1845	2747	2914	1940	2846	3553	1888	8393	2017	1638	1261	10369	1953	2111	8483	3022	2437	2168	350	3476	2472	1844	11614	7933	2042	2185	3069	2823	2431	2454	5386	1826	8680	8545	6219	3889	11259	4778	9386	5889	2792	11083	2699	8763	3526	8359	7644	9943	3914	4326	2327	2552	11452	1636	1517	4272	2379	2494	2731	3389	3217	1761	2315	1085	2298	3460	2717	9931	325	3982	7342	12685	4662	1940	2953	3583	2207	2503	8009	3179	1827	4001	5150	3242	496	4657	2333	5650	2716	2142	2803	2260	8762	10321	2048	2407	9099	3649	3842	3933	348	2298	1605	2630	3278	829	9069	2886	3026	2766	718	7953	5721	4440	3985	4783	7799	2976	4118	2151	3769	2317	2135	2961	7737	3120	2958	3522	3477	2847	2134	337	2575	1782	1813	2503	4119	2233	6616	2263	1751	2303	575	2857	382	2902	2221	1392	271	2611	156	2286	3199	2800	920	2564	3027	774	3763	2402	1664	4025	3809
octadecanol	1253	2399	1087	1143	1056	1409	897	1120	1623	1065	562	928	1555	1473	1113	1630	983	665	1225	1060	902	1278	831	956	938	928	814	1032	836	1070	1246	1148	814	2252	801	963	661	779	589	1447	1400	770	738	1018	849	1783	9685	1472	870	1123	1113	1283	1815	869	1254	724	695	680	739	1121	787	1053	867	728	1342	464	725	768	308	688	1271	1714	919	1292	838	813	1130	759	821	1848	1160	616	972	1120	925	1105	856	886	1130	1429	1930	951	1111	1773	943	1414	998	1041	1333	1183	1268	1036	1450	939	1303	839	857	1194	785	1062	1572	970	1014	574	824	1081	956	902	1001	1688	1344	825	1572	886	1467	764	1040	1335	1192	825	739	815	952	996	773	1400	930	748	1042	662	1065	1255	1089	1493	951	1519	1591	565	865	1573	1210	559	1506	1782	1036	1175	1401	1784	1359	907	886	1053	2503	1308	1408	802	878	744	1245	444	1034	1078	1111	1368	1179	1027	1065	784	679	1164	732	417	633	1179	866	1108	977	1023	644	627	1535	914	854	1393	1407	1361	708	1433	1060	1457	1080	797	1072	1084	751	857	1170	1044	957	980	627	869	659	1921	276	808	739	2655	943	840
myristic acid	3681	2956	3014	4176	3060	5399	3399	4000	4362	5029	1783	2755	3842	4522	3358	4406	4384	3797	3988	4007	4800	3403	4988	5408	3136	3374	3372	5416	3809	2978	4726	3494	3975	5308	2200	3911	1872	3894	1686	4218	3793	2918	3171	5113	2672	4519	3264	6070	3211	3760	4924	4211	5446	3526	3222	3145	2505	3435	2843	4442	2793	4927	3818	3575	3814	3263	3015	4041	3756	3164	4100	3719	2523	4451	3155	2506	3772	3344	3518	4218	3107	4327	3870	4170	2435	4288	4438	3099	3059	3365	4445	2841	3781	4710	2954	3482	3697	3910	4039	3926	4318	3012	3643	3329	3490	2594	4265	3370	2546	3262	4747	4541	4305	2652	3546	4483	3802	3565	3789	3976	3885	3641	4417	3070	3695	3316	5408	3195	3892	2739	3814	2477	3373	3749	3875	3266	3906	3429	5205	2617	3606	4066	5456	4215	2649	5075	4674	2756	2684	3777	3509	2429	3905	4395	3114	3026	3783	4797	4290	2233	4021	3141	4010	3426	4812	2551	3617	3142	3683	4116	3169	5219	2977	3096	5184	3405	2363	4868	3720	5837	4167	3626	2930	4573	4192	2964	3644	3554	3440	2252	4642	3912	2467	4688	5041	6788	2591	4083	4465	3999	3832	3750	2592	4261	2928	3735	5526	4218	3656	2990	3555	2565	2819	2659	3799	3555	2813	7243	3085	4397
myo-inositol	66933	72736	77176	60794	44890	95538	98990	91851	106269	84904	97099	51490	59497	55189	44709	63402	71672	53189	59243	96779	61767	67808	80466	63855	64574	47835	51135	62229	68236	55131	102621	57281	51388	100432	55502	73909	65748	52240	100178	84052	60962	68362	110992	60988	54662	48092	54768	82907	66675	67057	61601	76798	48224	63708	86323	61316	67154	71504	88385	185965	85037	112672	59685	54133	52724	86766	98819	55697	59683	56643	106071	60824	61358	111464	63291	76306	48582	79017	51824	73360	71361	117424	61932	82966	74944	100479	108517	71979	54909	79601	42867	51513	50160	75179	43391	81215	68277	61750	76259	89303	72827	39601	58071	30790	50256	53970	89023	91362	81372	39213	55389	51830	96104	71962	65982	71532	53782	54243	119286	84276	58469	64770	87424	55813	48650	42153	70532	49911	4836	46260	45572	58876	50707	65004	68285	83355	46861	81326	75204	59830	59601	67968	66481	102531	78920	121696	132976	63676	70970	69141	49479	46453	80070	108469	32598	51293	35655	42526	60499	27220	72006	49600	49612	48250	77884	105656	67790	61605	96619	68304	37143	74433	54288	46708	109614	58928	64643	43153	54953	44636	48064	40872	54048	43739	36641	53520	57819	125183	44973	77511	63119	104710	106670	105983	57387	52064	85387	73558	102234	65475	56103	122647	53278	129052	81885	105580	77300	128948	72318	121351	57766	47113	68365	85895	44860	64072	50441	49662	52225	70673
methionine sulfoxide	15650	9394	6001	19396	12117	19353	14172	12550	11852	9771	14794	19399	12904	11452	14635	21780	16765	11417	12672	6225	8796	11175	11395	14354	7244	11447	9725	8620	13906	12554	12751	13481	15020	6706	23750	12573	9204	17029	14584	15912	13076	11530	15123	10895	8656	17254	17492	6140	11039	18848	10915	17957	11641	9789	12580	5494	12954	13793	12874	16481	40629	18699	26028	12596	15076	19366	12158	11621	14912	17424	5526	10363	13418	9129	10408	8854	9948	9847	8630	16709	10600	10187	16163	14016	12761	10720	19283	6308	21485	13917	18094	7691	14572	13299	15144	14384	10091	12612	5828	8976	8712	11749	25600	17593	11613	7729	9315	11190	13134	8240	7546	12606	17950	17764	12032	17310	8782	17011	19970	17223	16130	15170	8587	11870	11838	10094	12689	14873	22726	8601	22243	19994	15303	13363	13819	9417	10688	18119	16522	8851	17766	12598	11810	15215	13639	16788	7620	12464	16285	15166	15129	12664	6782	12945	14618	15316	8886	8108	15308	9216	14202	30109	12547	22114	4617	16039	22744	26337	11421	9580	13521	17814	17424	19027	6136	7911	11075	13125	18482	14537	14417	9484	9960	11385	11556	16723	15955	17180	14394	9554	3259	14758	9192	17058	15038	8500	19959	10017	20686	18527	11779	4402	15040	13399	14424	10400	6621	11237	10313	11751	10131	13820	12065	9325	10534	20406	13111	13555	24420	4475
methionine	36819	42838	34620	68486	50237	30628	35286	60192	28301	21729	50652	66074	45723	38320	47977	45031	33737	36240	36411	33413	36599	36307	46546	41575	30893	34128	34960	42193	45133	46271	52743	52072	47764	20486	46652	27982	51809	36672	49157	46316	36090	45090	57323	49067	39604	53621	49450	22870	35908	27990	43006	56566	24089	38378	40000	48719	39153	34431	39969	36733	39627	53974	53208	33125	44558	43383	29625	31297	45542	29520	43215	41836	40126	32659	31856	44553	46245	49425	31264	35877	44969	41000	42351	21244	49536	42313	39496	34735	33268	49571	43692	33766	45147	48591	47845	39301	34640	35096	33467	43884	37430	45920	54281	37301	40117	29899	36112	40061	40103	23818	13434	26380	47927	54528	26233	29016	34328	52933	33822	50511	37020	42903	30937	51695	33301	30252	41218	62003	20174	28308	49055	45360	37590	62132	31083	37070	62597	41303	26661	36589	46786	35173	38274	40338	41236	34946	38712	37131	55893	38097	43928	49104	41556	38962	44794	46487	48549	30386	47355	16737	20999	25511	22598	38346	42610	49984	37208	41195	47166	31780	34619	45639	40566	36959	20779	32125	44977	40615	42839	49314	53298	7386	43625	30488	16066	45322	54851	36431	41010	31402	12364	31705	40982	19330	45466	28129	40153	41993	49888	56061	28332	35367	34428	41987	50386	47823	40784	34922	28014	35046	31233	35166	47998	50096	31237	40305	42881	34805	32684	5905
mannose	72556	77561	72409	68334	68353	105731	66085	49891	83280	51284	32176	16081	52233	82111	55630	52816	75026	51826	54107	74505	84239	55799	49910	80823	67477	84894	28350	50014	41295	61884	49489	65342	71594	47250	23496	101582	22959	40486	27927	40464	46075	44155	36041	55318	33742	51494	50723	78696	63696	74577	45471	53484	90259	80179	42528	33020	34813	46106	61465	57331	24820	68885	34097	44136	65595	21625	19700	37976	54567	43819	72153	83677	45391	43351	38688	48130	86204	54471	29806	47475	50830	45852	68431	76970	28352	73063	70558	40470	39817	41142	71481	64665	59305	70291	74563	56391	83303	41822	71136	49239	55794	62205	56604	13535	45973	52462	76809	26242	36435	52964	107278	89817	49366	22398	48280	79986	84932	57116	48429	39138	39004	35345	78174	21914	72587	57806	60625	30641	69993	96017	42834	31669	44661	52631	59744	43482	25665	27572	63449	34626	64462	62197	122458	84365	45602	90826	84629	47987	11315	40903	61426	34230	73033	48845	36894	64041	7176	70393	59218	40219	77353	49535	68602	68656	46016	56900	44890	25028	74102	113758	76299	90389	74108	64652	57968	62912	41520	35011	52689	48105	25654	37273	55216	51479	83267	54997	39035	36459	26065	48394	79476	71326	87536	77979	32082	84154	55842	31970	45162	28946	57893	34432	26802	60792	27279	58861	71460	73333	47919	76503	61372	104091	61478	52196	64871	86682	39918	42172	50898	66320
maltose	384	1857	603	637	4542	1841	652	1457	235	424	981	491	497	777	886	1529	808	700	1391	595	598	1042	636	848	871	722	340	1179	592	457	642	968	267	525	414	708	783	1584	442	403	873	551	521	642	644	708	584	949	910	1119	811	2168	441	924	883	463	455	4083	607	1526	779	1581	1161	1207	653	1439	336	683	167	472	1660	1072	675	1496	359	687	1053	1009	1306	897	5467	772	2140	1537	1343	2469	3951	911	1843	606	1006	431	783	331	1662	415	626	514	460	704	3090	724	506	555	210	676	1679	933	711	458	771	1386	819	521	481	1045	547	2239	1381	632	1547	672	848	676	348	1156	991	322	610	1134	1044	637	3478	1314	1696	1298	1456	3239	666	712	735	742	1094	810	419	834	1275	267	464	417	350	369	2012	578	866	953	720	450	632	1009	575	758	738	523	813	1020	1116	694	1164	937	445	1200	829	627	718	684	566	617	255	888	543	467	1213	352	1773	4411	998	1012	569	361	1055	1200	943	642	303	810	960	809	860	506	962	656	550	657	529	494	525	1234	920	665	680	1276	1297	582	1970	751	485	994	702	1657
malic acid	13138	18158	13638	15904	10680	6194	9518	21927	22516	12629	20913	14764	14272	13745	17027	9989	13982	15579	11924	7219	13849	18468	12510	14258	12874	8779	10137	12973	13118	14701	20705	24522	11930	18077	6215	9361	13488	9042	20235	13156	10714	11816	8533	8700	12077	12629	8818	13276	18636	30551	13213	17674	10942	11903	11093	17031	9197	14899	9889	17393	8674	11525	8263	17918	14960	19072	33705	12413	9991	15736	38049	9258	13831	9796	7542	15155	12267	16692	7446	7538	17838	30290	15051	36163	23861	27087	16746	7278	17472	9283	13468	9028	17489	21378	16257	29534	7162	12255	8518	14039	16998	9258	7700	14285	10970	15554	9874	15685	10506	5888	16449	16315	12922	15842	9354	14065	20644	11187	21311	13853	9441	12370	13636	15387	9462	1284	13201	10596	5876	18241	8837	15068	13771	15021	11712	19081	15102	19784	10948	14317	9347	13105	13116	12454	20346	17609	30219	21211	16492	13415	13603	31060	16702	14756	6384	6563	12726	9643	21337	4427	12232	6879	11595	12556	16157	13183	8493	18672	21033	8682	5669	8018	8337	12820	24189	9151	25301	9110	12354	6793	4929	8655	17513	9226	6706	5327	15837	20833	22517	9251	9742	16269	9788	7872	20958	8514	15417	12139	5921	6033	15806	14389	9618	19015	10171	17229	8797	24556	13994	13786	22295	13962	16510	18039	15687	10816	14791	12006	9903	8987
lyxose	10667	3796	6354	5369	3624	1779	2954	529	8251	1656	4099	3865	1685	3690	5557	2687	591	1686	3630	2491	3598	4744	3094	2147	1371	758	1917	3518	2929	2543	1052	2212	3113	3253	2401	7476	4171	440	6105	1729	2404	1118	2151	2025	3930	1682	2712	9608	4637	7191	4218	2485	2069	3359	1601	2783	1936	2390	2282	2702	1389	1797	3600	2873	2458	887	294	4598	11535	370	1198	3051	2170	3135	2133	6890	2370	3231	3918	3228	5803	2569	2920	1099	5395	1612	1004	3150	3237	11324	4165	2427	13421	8448	1823	3157	2607	2999	1421	1673	2278	2245	2383	5546	7062	1449	16126	5345	14008	1455	10586	4185	3763	17931	1206	2038	3229	2123	2536	1222	2722	1316	1595	9412	3863	3488	1344	6131	6303	6466	2051	702	1827	5879	3078	4545	11037	1984	2529	6967	963	3279	1476	3587	1842	1037	3664	1553	2294	7907	2618	1782	3036	2503	1429	1911	11760	7470	1696	1171	3226	3089	3029	7693	3773	2696	2112	2113	20739	4363	1652	2060	3674	3278	2338	1958	2389	845	3256	1940	558	7184	4852	886	714	1614	5349	3376	1704	1109	11596	4877	3880	702	982	1417	2818	3993	493	3550	1984	1187	2497	2123	1038	2749	1517	1609	3158	2709	1075	2991	3417	1486	555	4194	5747	1408	5719	2763
lyxitol	3240	3220	3605	6031	4270	3704	1742	4976	3542	3987	4378	4464	3376	4592	6040	771	3695	4017	4114	4446	3210	3315	4139	3703	3080	3612	5549	4392	4392	4352	5190	4346	3876	6723	4714	5309	5399	6426	6394	5273	4817	4093	5858	6491	5624	4723	4814	5844	4318	7360	6662	1285	4232	5350	5937	4270	6538	6527	5835	8594	5893	6354	6373	5402	5060	6895	6961	4999	5790	6053	5456	5350	5634	6788	5400	5458	3958	5033	5456	4892	4644	5442	6278	4034	3655	4189	6215	4594	7571	6411	5695	6155	7055	5463	3164	4820	4454	6703	4939	5780	6163	5199	5194	2737	5804	849	7066	5087	5988	4219	3367	4575	7734	7372	5615	5791	4407	7938	6996	5514	5754	4767	3135	3404	4459	3574	6951	5913	2729	4684	5134	6743	5807	6101	5238	3815	7363	4140	5165	4314	6210	1789	4249	3911	4277	4849	5486	6449	8280	6582	5428	3962	5855	7490	5600	4519	5150	4396	4929	1852	4704	3456	2925	5653	6115	4335	4889	5214	5989	4635	3842	5858	3953	4862	5832	1072	6540	4050	4721	4340	3033	4143	3931	3709	3678	4960	4005	4433	697	4236	3586	5649	2514	1124	4207	5238	796	4793	5508	5446	4994	4268	4215	6363	6433	4717	6698	5314	5637	4172	3950	3485	3862	3654	1867	4801	5322	6275	4952	2624
lysine	123321	96766	95892	134686	120810	84443	82794	128152	82601	60993	119805	125342	104913	69249	108283	160826	119955	103703	125995	127212	40601	108866	71250	106677	51371	129201	91717	48211	85656	74499	84350	139933	122370	17645	150926	125374	147618	97655	110505	50364	98707	97672	154971	47839	36149	143351	174801	115720	43414	76452	69621	68731	66088	53755	97604	128821	68756	115383	107138	83812	202973	102652	182277	120682	132201	194819	104316	121207	160990	200980	122011	182833	116165	84364	46859	72754	58174	95362	58053	100414	90654	140948	110181	80741	88249	103399	176411	71599	193867	91181	204191	50931	138468	107932	97171	87026	76674	126830	123584	87298	103536	82767	196774	72949	115855	41885	110332	75788	141654	61482	37926	63067	107227	156321	92394	133477	48168	104997	148111	154776	131865	172061	38035	91315	103939	61351	60267	142732	73077	59118	202071	89009	140473	88290	99339	55869	99340	74898	83041	62387	126576	75845	79191	143350	108655	142018	161346	92273	119966	76248	110905	62461	74153	111554	83187	149044	81473	89315	85708	28491	71241	78603	55877	110104	131459	158093	221740	161376	121828	70276	100675	184297	119111	158335	54824	40940	82458	69214	150098	52708	110500	102803	129575	74931	66688	123428	76421	70873	67156	86086	6344	95735	73489	99228	168529	37795	121881	91942	104699	107018	102719	101076	104651	104837	130688	104434	60415	111857	92075	89664	85952	81000	97014	89664	68058	67015	87742	113256	96175	28813
linoleic acid	1656	1418	2647	1723	1481	2198	780	1714	2014	1777	386	466	475	1384	973	1767	1015	1481	1821	2027	1710	2395	3048	7863	1142	868	579	1675	718	1085	1688	811	2171	1372	994	634	189	1923	714	1016	1465	420	1783	2258	426	2210	128	1989	798	1407	1097	1753	989	1219	2101	1034	787	1490	934	1012	880	1401	315	715	2227	909	631	1165	1741	1607	1270	2315	779	1163	1311	971	1049	938	1176	2993	1325	1567	741	1396	530	969	529	1446	1207	979	2944	1977	1383	1723	2034	1636	2390	1010	2025	530	1726	1596	1441	1622	951	916	2412	262	519	1719	1021	1062	1183	618	2292	1847	1381	1173	268	1088	1040	1133	1031	1073	1636	1594	2290	807	829	2187	1168	749	1333	1851	2403	1264	1140	830	814	1037	858	2061	298	1187	863	1327	1433	313	635	448	734	1099	1772	1483	1329	1628	1194	1168	1004	1121	1305	542	1495	1959	2297	1445	522	835	1175	856	1404	6925	2715	704	827	2256	590	1713	1586	3053	1912	1356	346	410	2311	469	1066	1051	956	941	2461	1363	948	2787	3832	5712	1532	367	2064	1361	1274	2092	878	1494	1035	1363	628	1741	833	769	1283	877	787	471	2550	1311	1039	734	933	1114
leucine	262461	186411	254751	183578	230070	330904	296405	351448	205779	143720	367006	414290	258506	209241	289854	296349	313053	217627	274135	250081	175280	288950	307704	308815	232765	271543	221183	246530	350761	302949	344896	397044	265649	170733	437764	284927	413727	232208	273340	371549	320838	213198	425582	263324	291989	321729	272136	244680	322097	175735	277082	241015	162283	152983	386461	364744	361588	306964	350352	206581	450955	265306	352968	190974	254061	353957	336137	284124	245062	300206	209117	323788	295716	216460	181500	344883	207155	336241	207573	387118	201711	217346	345192	242593	335081	181727	230412	243237	263053	277922	288385	251733	354481	281604	234161	249253	224436	293695	304287	290589	281960	239612	321800	180994	200819	273752	278041	330065	346738	168825	193220	145623	234831	393987	243053	234217	305224	308756	337217	306337	191053	238490	197037	326516	258325	331362	222495	473958	254347	209523	306664	387137	214787	165429	229549	335127	482434	416122	390758	231384	358770	214757	296304	318679	235904	236225	219770	263780	573754	356759	321199	357667	476740	341189	239332	343217	339480	219512	341741	85868	306236	386367	317367	296701	302947	327071	348230	267053	228332	289612	235583	311258	276420	201198	137799	301667	393130	291984	309901	344913	302308	177827	208794	193951	215561	239671	309454	202890	297138	269886	136294	259283	243076	230131	231815	132498	294750	303125	280289	229531	190979	203593	218491	221966	226660	154765	180828	185113	194379	325701	162474	339860	321253	229406	182768	299692	321237	198961	323855	160263
lauric acid	8767	6540	4053	7657	9589	5657	8549	5191	9329	7017	2937	1786	4913	9911	4982	10159	7562	4843	7270	6686	9136	3012	8803	8902	5999	5084	4405	7775	4799	5691	7741	9303	2540	8879	5709	7102	3272	2190	2645	6525	4775	3406	4387	9682	6601	7078	4482	10343	7715	7687	9088	6909	11252	6928	7408	4797	5300	2871	3606	4799	3632	6329	3056	3288	8238	3785	4608	4959	7444	4805	4253	7948	5638	4936	6330	5582	7269	4414	3854	7558	7736	2809	8076	6007	5401	7614	7058	6174	5702	8810	9078	4529	10058	12465	7000	8842	5047	6616	8742	3233	8199	4528	6148	5812	8397	5739	6856	4674	3667	7262	11318	6877	7868	4398	4437	7114	6486	5234	7544	5873	6269	5653	4350	4430	8353	5921	9174	6996	1971	1548	5030	2911	6086	7192	4109	8765	9154	5039	6194	4789	4690	8795	8457	6639	3527	6235	6075	5389	4643	6716	7135	3811	8277	9887	3110	6094	6581	9920	6675	4558	7030	2420	7798	7115	6635	5425	5998	5141	4954	7475	6345	7190	1642	7034	8285	5829	2805	6361	3553	3930	5859	7692	3148	5982	3066	6507	7422	6107	6536	3833	7176	5648	6774	8250	4598	11013	4830	7089	5071	9911	7300	5558	7555	7703	2826	5765	7060	5627	4512	9613	4286	6378	4418	5138	6558	5601	5475	7920	5484	5413
lactic acid	1319960	2042371	1705142	1383246	1636271	1132859	1404553	1542549	1028978	1975401	1690507	1431849	1381941	1250982	1568354	1638029	1127956	1931046	1206732	925612	1510057	1503561	1260196	1271308	1899261	1513424	2076716	1585625	1994842	1943418	1676604	1620842	1372864	2284348	1476314	1379296	1461957	1418364	1679118	1393244	1227712	2094967	1473478	1521392	1745546	1494076	1625466	1129855	1690123	1148238	1725111	1521974	1773902	1708350	1563062	1618225	1469630	1416438	1400827	1395109	1171335	1293666	892258	1813206	1541829	1369663	1599804	1948016	1362213	1481704	1551423	1022490	2109405	1837800	986825	1844373	1552832	1800012	1855627	1341091	1586050	1591639	1614136	1223592	1880884	1555776	1202779	1463418	1319861	1132299	808568	2066007	1647515	183830	1573617	1666405	1764139	941525	1225574	1227509	1397525	1685384	873643	1603967	1759340	2527747	1211345	1782316	1796351	1853027	1421098	1867452	1463887	1620715	1760819	952840	1428405	1694428	1288338	660827	1461732	1550638	1810068	1905631	1494752	1795827	1466472	970587	1768972	2131405	1111830	1368277	1856649	1132909	1711421	1725502	1827406	965347	1294903	1615140	1483810	1686852	1196415	992566	1931047	540864	1005160	2271113	1451586	1236786	1833956	1149734	1181199	1286660	1929156	1858373	1820225	1388680	1380595	615661	1591979	1671252	1417624	1339234	1093659	1418384	1018972	1916307	1896944	1686550	1476348	998085	1467684	1088482	2053668	2067163	1834548	1679252	1563427	1365420	1712650	2007987	2135664	1694734	1254414	1868485	1595304	1308632	1210430	1761314	1182751	1125078	1637452	846034	1673600	1875918	1444441	1360348	1108431	1657849	2278350	1127954	1677967	1306966	1864815	1556617	1450154	1510951	2100846	1846847	2370440	1440202	1595602	1712381	1914954	1723010	1961441	1584551	1923755	2016003
lactamide	2260	2210	1592	1693	2619	1567	2022	2006	2348	2845	3129	2199	1730	1684	2008	3133	2142	2060	2361	1637	1869	2020	1475	1499	3424	1701	2953	1824	1322	2716	1876	2292	1612	1124	1975	2216	2287	1872	2559	1836	1706	1473	1919	2019	1951	1639	2300	2231	2176	2301	2360	1854	3183	1766	2618	2698	728	1645	1995	1821	1524	1360	1628	2233	3102	1834	1535	1205	2045	1649	2032	1931	2890	2788	1679	2482	1991	2483	2316	2389	2404	1983	2142	1964	2741	1588	1646	2194	1927	2074	1755	2427	2290	3721	1974	3154	1851	2745	2349	1810	2661	1995	1895	2411	470	3263	1524	2631	1765	2584	3101	1518	1067	1820	2119	1895	1455	2205	1399	1799	2492	1999	2002	2250	3251	607	1804	510	3028	2777	1550	1963	699	1333	2436	3052	2221	916	1379	2076	2044	2813	2042	1335	3639	1159	1412	3331	1453	2131	2309	1398	1968	2279	2221	2427	2386	3166	1607	824	2132	2836	2397	3174	1450	1783	1674	1316	3280	2169	2263	1366	1630	2096	2697	2536	2530	1830	1948	1684	1573	1254	2478	1695	1711	2362	1634	1739	1713	2966	2177	2226	2593	1366	1857	1568	2337	2181	1473	3094	2025	1824	2457	1536	1708	2261	1666	2076	3202	2389	2225	1906	2261	2670	2284	2199	2618	2629	2872	3039
isothreonic acid	2295	1869	1437	1600	2250	1965	1525	1871	1039	1019	1117	1564	2450	5844	3248	1773	2041	1876	1613	1985	3569	2374	3030	3241	1988	2504	1647	3095	1498	1395	1685	1718	1899	3035	961	2211	809	2108	1147	1982	1550	1377	1499	2955	2165	2073	1014	3188	1827	2008	2132	2530	4224	1410	1369	1732	1916	1447	1160	2084	614	2219	1626	1373	1721	1705	1510	1599	1921	1241	1883	1540	1216	1238	3516	1804	908	1741	1270	2242	3018	1922	1785	2105	1553	2579	1633	3577	719	1288	2021	2521	2089	3403	761	1640	2615	1995	2206	1714	2942	2343	1537	1270	2375	2714	3929	1556	1438	4674	5053	3294	2440	1542	2031	3091	1699	2344	1152	2086	2629	2206	2380	2162	3288	2574	2191	1670	4359	3014	1857	2087	1640	1455	3346	1919	1709	1402	2266	2102	2521	3393	3255	1668	1509	2069	1717	1360	971	2133	2581	1355	2361	2354	1651	1574	1973	3288	2489	1068	2705	2539	3020	2371	1800	1146	1894	1425	2688	1805	2176	2437	2166	2071	2311	3868	2136	3153	1378	2376	1476	2817	2132	2800	4071	2154	1288	1891	1045	465	2133	1964	1506	1862	1839	4279	1141	1626	2046	2803	1667	1508	1741	1967	1259	2562	3115	2316	1233	1986	1783	2345	2094	1838	3079	2759	1619	2051	1963	6063
isoleucine	209832	194175	181486	170425	133133	173464	202970	194804	204600	112828	247495	227705	190076	129735	161260	225617	190109	152299	184544	204839	131760	207251	137484	158614	159198	175254	181938	185169	160718	218101	188816	242125	197170	139128	208804	165631	228481	181028	206698	200554	204840	158068	199648	173565	125595	254240	182758	210271	163191	158743	120862	250336	168407	128407	220789	230230	212295	198056	200401	201061	272379	193959	249018	197622	179176	241545	208546	141200	190188	188957	192817	218856	196478	151880	173137	174567	120866	222824	138912	196538	178307	172271	223268	203309	177403	233573	175154	186489	178481	208740	196806	134121	229576	271231	146994	193759	161858	183997	210951	231356	212254	182707	237750	167830	189074	153078	154812	185083	185984	94077	165550	194839	138415	204671	177238	157841	153064	158747	219215	294591	189470	184475	193728	207334	217398	181595	127465	278592	189293	187001	224590	264908	147493	169279	165486	196292	201262	227997	219281	146122	156881	162906	221299	238768	170656	271778	212987	155708	249529	206590	164133	191556	189520	206251	155112	174307	169977	167213	219512	93338	200627	173638	192749	162901	205801	175706	190222	207325	178700	158070	191507	167410	135996	160635	171233	160974	208461	152501	204372	173564	191600	169589	181222	191257	157527	157280	194437	170397	160971	159364	177759	263754	151379	241960	202303	146415	165561	243658	190051	206634	141394	170520	184549	213664	154482	162879	156122	199683	187916	210208	138535	234419	222305	201665	166257	181531	155910	190449	179854	177162
isohexonic acid	570	1292	739	1192	1128	718	881	661	989	559	791	739	775	491	1336	679	847	661	738	948	618	1001	870	845	798	843	829	203	821	729	1092	325	879	1144	617	861	593	571	949	995	1002	821	682	803	887	1070	606	1133	1240	1802	1158	2005	1148	1039	1022	904	819	1057	678	1209	464	657	838	771	1136	1221	1364	732	742	1020	1859	1131	634	599	137	919	619	1070	651	579	287	826	1419	1055	826	1153	1179	1131	740	582	1022	911	755	774	211	855	827	779	580	1130	1106	883	957	616	1583	858	786	817	750	673	1095	1560	707	1018	633	1496	910	1186	1715	919	607	744	1052	613	1084	423	790	872	204	1135	739	909	903	190	1286	747	1233	420	995	964	1453	804	1455	1399	661	1056	1316	573	905	603	1428	750	1018	1022	792	876	348	1296	1300	410	1027	579	901	954	1171	793	822	951	1441	1001	486	726	696	862	1372	571	1258	676	745	693	464	536	1011	618	804	1267	773	1449	773	985	501	1183	1277	828	924	537	1065	943	828	969	1005	685	283	884	713	1179	849	1388	642	1189	781	890	1212	788	892	737	757	806	491	579
isocitric acid	3028	2246	3191	3818	3675	2744	3150	2964	3461	2475	1773	2005	1822	2869	2840	2377	3033	2546	3418	3355	2854	2786	2992	3166	2597	3463	2759	2978	2089	2344	2864	2950	3377	3290	1363	2901	2670	2061	1752	2040	2813	1996	2163	1783	2392	2610	2091	3089	2353	3169	2180	2952	2872	3162	2687	2856	2363	3021	1523	3006	2081	2519	2532	2253	3557	2843	3068	2483	2795	2774	3663	2797	2200	1791	2554	2587	2653	2487	1517	1731	1879	3479	3454	4632	1487	3403	2747	2043	2161	1793	3356	3019	2440	4085	2161	3304	2211	2091	1900	2811	2931	1949	2766	1932	2088	1881	2511	2452	2498	1611	3302	3047	2282	732	2110	3343	2641	2270	3959	2964	2234	2158	2386	2225	3260	2616	2735	1795	1830	2690	3012	1974	2370	2289	2442	2161	1982	1950	3139	2746	2439	2516	2845	3701	2092	3173	5911	3362	1793	2212	2839	2552	1964	2957	1491	2126	2509	1951	3171	1158	2634	2086	2643	2849	2759	2337	2105	2980	3093	3090	2069	2742	3048	2829	2628	2293	2218	2017	3150	2309	1684	1717	2811	2241	2198	2308	2400	3118	2623	2113	2622	2893	2191	2737	2818	1001	2947	2298	1449	2400	2708	3204	1759	2728	1344	3009	2055	3117	1805	2536	2100	2429	2562	1986	2977	2165	1289	2453	2595	1204
inosine	600	3539	104	54	1215	549	178	143	247	370	225	96	533	511	306	69	293	697	171	186	688	2635	926	274	2212	44	39	1363	41	45	62	125	354	376	136	62	19	128	17	2747	1182	1324	74	1059	446	141	71	748	310	247	248	652	569	81	652	337	72	466	79	149	229	167	462	160	374	23	13	69	251	650	163	338	88	70	1776	2342	277	258	220	7419	7066	8325	107	217	123	703	89	108	339	218	188	23	82	74	512	433	376	87	408	133	135	128	5	91	482	268	528	1466	263	136	112	219	172	1332	61	660	122	322	183	325	682	949	813	505	464	448	498	38	425	728	547	199	290	244	986	320	250	212	38	91	277	354	328	37	349	62	323	448	20	22	32	94	47	90	115	118	602	355	431	281	156	78	380	184	174	284	277	184	322	163	164	163	211	125	30	57	84	834	395	393	52	704	468	519	269	42	166	2327	210	45	57	805	307	61	60	93	1018	800	396	1116	220	21	61	132	1391	1147	1881	2075	31	66	302	64	1310	74	285	2711	19241	22	1204	1660
indoxyl sulfate	7168	993	975	1197	3709	2035	2174	3913	6381	1202	4622	8259	1077	4108	5326	3626	907	2217	4081	885	2624	4661	766	3116	1105	2814	3085	2373	1174	1403	812	6236	2404	1056	3751	3956	1214	696	2097	1072	1098	1061	2760	871	724	955	1281	1394	1045	1271	1674	1608	2468	1709	2088	2440	4376	1642	2284	2607	1764	4093	849	2109	2708	1664	2536	4178	3841	1028	1231	2390	6346	2996	987	3208	1409	3497	1432	1738	1813	1574	839	1130	9119	2181	1989	2208	2032	2477	3011	3308	17859	2660	1702	4133	3434	2569	2197	1545	4393	788	2171	1242	3247	1163	2038	1911	8013	1643	2896	1926	7621	8569	794	1170	1459	2633	1006	2384	1543	6194	1017	2030	2513	3266	610	3076	1145	1549	2062	8817	5742	1093	1215	2393	1530	1555	2847	7352	1465	1935	1487	1917	1577	1197	408	1765	2474	3491	1898	2244	2806	2298	577	2149	914	2080	1579	637	1210	1353	1177	1304	2926	13539	1806	989	3047	2116	1315	778	6082	9222	1679	1598	606	1357	2557	4060	1224	2548	5503	1238	572	1789	1122	872	2901	6857	3799	2320	1685	1562	1771	2587	3147	3166	886	1950	1591	1647	7043	2548	3315	1348	1967	1133	2805	2647	689	1187	3204	2000	697	1459	6686	1793	3668	802
indole-3-propionic acid	9847	2791	5675	4545	4162	2297	6556	5960	2744	3432	9027	8821	4460	18521	15776	6725	3735	5271	10383	6984	6775	6893	6238	3978	2683	4159	6027	4263	3864	4650	4879	5133	8163	5668	2398	4478	6119	4166	5713	6919	5408	1002	5056	4686	1600	4518	7069	8654	5679	5987	5187	7831	4774	6353	5373	5401	5503	6590	5255	6598	7860	8109	4808	8716	8853	7394	8197	5361	6332	6592	4440	2130	5635	6869	2615	3099	3626	1302	4444	6069	4729	7700	5871	7481	5548	5832	4201	3268	6130	7560	6540	6618	7837	4326	2264	5352	4801	4396	2145	6384	5063	427	1903	1200	3202	3101	6210	3932	8049	5951	4025	5944	6999	6194	5980	6526	5021	4273	7174	8922	5339	7593	2944	5078	5803	3428	6608	7032	5574	2889	13914	9191	8753	10260	6294	6246	4173	11318	6659	3215	3737	6393	3675	5843	3508	3550	4346	6385	4843	6371	5113	4184	3690	2801	2399	5518	3127	5410	7559	2738	7222	1568	5433	5104	7371	9388	7525	7854	5982	11979	2647	5447	6078	7467	6441	4178	2972	3182	8555	4056	2986	5352	3242	8116	3001	1521	5086	4453	3417	2671	5486	8267	4515	2280	9659	4582	6605	8710	3909	5814	4929	3527	5533	5445	5600	4140	2682	4418	5023	5028	3376	3694	3677	3022	4383	2384	7620	8294	7717	5816
indole-3-lactate	6428	1372	1753	2402	2491	4275	4536	2964	5583	4738	4093	5280	3401	3943	3579	5644	4541	5531	3477	4562	3572	3260	2575	3751	2145	2415	5815	4101	2959	2432	2001	2910	2469	3294	4124	3315	3418	2977	5378	4027	3879	2833	2453	1650	1593	4015	4297	4592	2272	2599	1718	4476	2975	3452	3948	4470	3645	3568	2882	5753	4514	3649	4024	5046	4041	6118	8274	4373	4353	4168	3772	4581	3575	5126	3416	1934	3826	2534	2665	5119	2561	3367	3803	4175	2777	3148	5850	2145	4719	3451	4443	5176	4498	4244	4224	3302	6378	7363	3364	3377	3667	3833	4763	2402	2318	2868	2897	1883	5582	3382	4066	4959	5827	3478	4160	3787	2860	3439	5457	4573	4510	4658	2833	2651	3005	2421	3365	3876	2557	2281	7694	5528	4970	7395	3485	1973	1353	7687	6461	2630	3640	3209	1821	3851	2852	4032	4398	3816	3077	3442	2286	2178	5329	5662	2200	5202	1463	3554	4543	2599	4495	3409	5157	2799	6740	4695	2920	4222	3833	7334	2865	4978	5500	3715	4336	3310	1837	1475	7732	4088	2931	3868	2893	3650	3315	2203	4085	2453	3307	5504	3962	6191	3479	4209	5526	5166	4161	5550	3150	2953	2447	4825	4160	5798	3822	3583	3145	2927	4175	2863	2702	1970	1763	1780	2994	1692	4338	5613	3948	3490
indole-3-acetate	9355	1553	7179	2388	1974	8700	5576	2538	5185	5344	2501	4653	1567	6813	3760	3917	6257	4089	5718	5754	5054	1777	3056	6284	1182	4478	2708	5060	1719	2201	1789	2874	2243	6389	3604	5050	4376	4070	3902	2767	1721	1428	2546	2814	1793	3126	4811	4150	3319	3173	2148	2759	2592	2730	2553	4157	6502	4007	3159	6582	3807	6123	3099	4199	3348	4378	3224	4564	4959	2386	3282	7451	4038	4304	3688	1641	3438	2451	2467	8233	2970	2695	2132	4406	2851	1736	4561	2580	5480	5214	4948	3179	4926	3965	4062	4137	7470	6889	7165	2913	2280	2482	5436	2844	2616	4071	4490	1561	3364	3477	4534	4849	10487	5137	6580	5794	2855	2015	2864	7575	10329	7786	3423	1479	1777	2530	5451	6631	5499	1639	4128	5255	4572	8537	3416	2172	2151	4604	8826	3912	2703	2149	3102	3487	3106	6721	6433	1600	4205	5424	2593	1849	9168	4293	2192	4434	1268	3889	3185	3472	3512	2987	5471	3131	7116	4422	5799	1731	3187	4618	4270	12272	7018	3867	2268	2980	1242	3629	3477	6664	5141	2225	1743	2223	6626	1960	4594	1405	1994	3783	3256	3315	1806	4590	5679	23547	2697	3545	4099	2035	3039	3109	3795	6043	3263	1768	4596	1213	4511	2764	1282	2773	1880	1476	2041	1838	3394	3498	3179	6230
hydroxylamine	727905	567695	591343	515858	767549	597524	605740	266584	604846	598119	575064	640437	737304	741439	797293	715960	629987	595077	685530	583502	546428	583129	569663	515075	662128	893514	799145	489736	554148	379722	379984	548481	717757	408389	785235	716094	496287	740886	644464	516261	721175	713812	389534	519371	520450	702115	824127	769407	586881	666467	723093	568553	728909	722680	590391	665166	508204	665838	721049	598168	689656	526355	753832	721632	587646	658477	503560	713877	683056	697982	630756	711735	739058	531084	553779	683005	851575	744107	620372	829664	622954	695585	782851	579013	664701	553186	632141	785822	613339	673829	842229	754834	1020808	786708	507896	568176	727795	737202	745864	592397	618711	696494	657289	617540	769288	566208	470985	779608	663661	547042	755516	561356	521427	488308	683775	668605	751344	414911	594589	802763	628404	701403	623057	688728	714256	685724	637589	751601	720890	688712	814651	732804	779239	597282	819086	805722	941676	609367	755967	987022	714806	601183	750524	636494	543290	743731	588283	333870	621804	721326	734478	367902	531061	632779	896583	707398	448758	876103	567462	270524	584308	826664	762932	682068	780394	609694	613719	601110	754666	824965	819159	630511	610714	692940	612205	541869	584363	782051	733862	562774	542889	817126	869139	689098	882020	729430	328226	536421	676937	626750	699106	722724	755523	790770	585809	498683	754501	619201	617427	680079	737183	718953	833555	608260	556889	812656	580236	595108	706970	787706	569685	824720	827984	764434	585224	552792	533059	545199	452513	680295
hydroxycarbamate NIST	17399	7769	10091	13220	14711	19236	11053	3771	18482	21428	14562	14842	6679	11699	12813	23569	18922	19339	10468	14924	13448	3201	14682	11433	12164	15652	13424	14521	16079	9488	11770	2755	11336	15561	15286	12351	9921	14368	12467	7943	9259	12840	9453	18738	10916	7668	13244	21138	6224	12866	10776	6463	4169	8674	5769	11238	9822	2943	9950	12172	7676	12126	13780	5957	6079	3143	9724	14268	10930	7958	7810	8386	9911	10245	15516	10463	7942	9686	13305	8905	9879	8594	13787	10695	10373	6602	6671	14006	8981	22871	7668	9028	9001	13944	9094	9206	10688	8309	12291	8757	4157	5335	7479	8988	7480	6876	14634	9349	9140	8851	14247	7023	12514	6239	6104	13023	10095	7126	8483	5196	13117	15474	6783	14459	5947	967	15173	8916	14101	5668	5827	11056	5057	10606	7274	10661	17766	9964	15312	7991	10350	9840	17982	7955	6242	12295	12277	5692	11766	20779	11599	6130	12070	7312	11521	9495	6111	7144	6609	6263	10810	10043	15402	14616	12444	12134	8670	7719	11183	9202	8255	23847	10996	11229	16156	6406	6161	8272	5829	8745	7627	9093	6980	9641	13170	9022	6386	13898	8675	12902	10134	11482	11774	4186	12159	15940	12709	19268	9738	11607	10245	8341	13853	16682	12242	9581	10118	13287	16980	9149	8881	10745	9981	8105	8927	13452	7985	14614	9644	12449
hydrocinnamic acid	6902	6646	7780	6719	6637	3442	10992	8474	7133	6046	7543	8110	7342	6046	8982	10836	5378	3055	11775	11745	9144	10728	6456	3977	6468	4356	6469	7929	6519	9219	9895	7440	6140	11424	6254	5126	5798	1096	7171	6415	7388	6851	14314	8726	5415	6392	891	8298	9400	10951	2955	11036	8841	8754	6863	7870	8064	8306	11052	2869	15054	9034	9099	6215	10874	9552	8290	8079	7689	6365	11961	1257	16091	14319	7937	7342	19133	8776	6730	8880	8821	13861	7638	19481	9165	8862	5660	8235	9460	11342	11782	5050	14526	6579	11553	6675	5230	7746	4841	9788	7386	9539	7938	17690	8461	562	9930	8354	9098	5178	8128	5772	9041	12316	8100	12843	24454	8864	12183	7239	3066	9974	4916	6959	7103	6157	6907	8374	4893	3615	9718	7922	6019	29376	7939	11875	9387	36610	7276	7477	10631	8969	7604	10931	5816	6728	4499	6420	7864	11475	4130	23890	7327	11532	5666	4796	7248	10895	8956	3782	6780	4379	7144	7869	9722	14243	10774	6661	10094	5563	5417	7140	4644	8236	8432	4621	6891	6697	10686	5600	8053	6130	4768	7808	3059	3729	25103	6343	9217	5572	11533	12455	7844	2084	8152	5214	7836	6901	11556	6797	7103	9843	10167	7393	1268	13288	10492	8394	673	8781	6550	9572	9846	7150	7841	7594	10110	6592	12405	7756
hippuric acid	6179	188	292	1828	1011	1626	4486	3700	5086	6389	2574	4464	1988	6773	3802	2545	1073	4416	7902	4059	5311	1798	2871	3362	211	126	466	6802	1995	2285	2950	4264	2021	975	2633	3720	3037	339	317	1413	2021	1883	6785	3723	2123	2777	407	3169	3262	3679	2036	7748	6559	7936	1875	2948	4477	3471	3157	3655	4289	9785	286	5284	4568	6098	3717	3543	3312	3331	3675	592	5408	5622	4098	2510	2188	3049	1623	544	2827	4191	669	2035	5580	2125	3406	2755	3665	4057	4753	7201	2242	3811	2039	3186	3727	3089	2601	3484	5370	1540	2742	2463	2929	328	3854	2672	5337	12349	5508	5879	9723	4850	4188	4396	3007	3519	3019	328	2928	3789	376	3540	5207	7073	4759	5238	4696	1959	4608	5718	7940	3671	2580	822	2233	1240	6502	7628	3454	4599	3151	5255	238	282	175	3287	1209	4494	3119	2654	7608	4974	231	4387	3729	5273	6352	2395	3883	2734	2118	5152	3610	5391	4902	2237	4618	4114	3970	3887	4226	1734	2990	5399	1570	4970	2350	9300	183	5054	3978	4818	382	5150	2239	1542	1345	2041	5581	3797	2222	289	5515	14989	3744	3891	3498	3624	7241	1269	3994	3038	5543	3124	6178	3282	270	3552	2066	2412	2521	2544	2499	1974	9578	3549	8226	5067
hexuronic acid	4175	9126	7378	7365	5828	4959	7910	2868	6415	3905	4521	974	6942	5328	5872	5254	5240	4151	3491	6263	5353	9725	5231	5647	9148	5996	4764	5288	6558	5584	3880	3496	6178	3000	3190	4531	3554	3129	6814	2319	3255	5261	4221	5719	2388	3764	2230	7021	2113	7398	2367	6707	7893	4383	4711	4120	3981	3937	3899	6193	3098	4801	6055	4897	6402	2993	6405	4608	4506	4525	11259	6160	3957	2706	3311	2932	1949	7506	4117	2602	4904	1536	8389	2497	2210	9364	5993	5212	1297	1824	6273	3256	5634	8141	4191	4613	2411	3679	4561	7053	7299	5039	4482	3438	6589	2669	6320	5568	974	2311	7638	5927	4700	4084	4667	9886	4735	6057	8983	5551	3037	5565	4916	6978	2888	2631	6245	4435	1465	8736	3462	5178	5160	4194	4322	5183	5359	3104	5535	1541	6003	6099	11458	7230	7036	5408	8497	6432	3983	4271	7911	5274	7533	7355	2872	2910	2234	6247	7602	2614	5248	1991	4197	5127	6707	5372	486	5327	7018	6740	626	5784	3326	1661	7811	4806	4308	4804	5113	2437	2249	4238	7060	4744	4590	5196	4448	7468	3771	3418	5400	5444	8088	5100	6013	4562	1672	4530	4712	5477	6438	4316	2580	6062	4025	9264	6205	14131	4836	6760	6788	7339	4585	3934	7588	4452	4125	4199	2694	3388
hexose	2199	177	362	479	573	551	599	251	2734	806	290	280	7153	617	487	1605	516	412	2043	346	531	1739	710	376	1761	443	263	567	444	327	569	275	203	470	373	853	124	237	234	420	157	386	404	859	552	118	240	288	518	174	692	234	2299	572	1371	357	444	9724	424	245	627	476	489	8482	1455	231	247	270	1475	169	17171	30	341	569	274	444	507	262	287	1641	1465	259	492	179	430	260	305	297	304	1180	1885	866	203	2036	300	1540	374	225	1971	156	1628	403	43	979	1371	587	654	421	381	1445	2974	455	744	296	182	250	538	696	281	130	168	273	267	288	1872	2093	490	774	1871	428	372	488	471	362	191	1266	466	191	512	519	393	1676	790	201	1510	19945	399	275	322	1290	1847	213	242	1253	423	601	299	27	415	57	480	1855	304	37	274	346	279	4881	1907	799	258	678	58	1966	316	575	302	320	10013	357	303	928	354	221	466	281	340	165	329	385	1987	410	421	168	173	362	383	56	472	1679	338	213	597	449	262	13371	534	228	344	632	179	834	392	208	291	643	69	192	452	309
hexitol	2174	1589	3278	1101	1279	3705	980	1993	3224	2984	2655	1389	1494	2808	781	1854	1962	559	1983	1871	2988	2922	1646	1165	2472	2101	1905	2910	3046	2307	3765	1506	272	3892	1374	1693	2270	650	1657	789	1274	1445	2871	1702	1563	1671	1533	1930	496	1727	2306	1506	2378	2530	2518	1224	2866	2072	2047	3597	2178	2812	1755	1622	2818	1553	1399	1344	2129	1281	1472	3273	1136	1610	1423	2573	1582	1803	1885	2859	2646	3576	1380	599	2696	2913	2278	642	2045	1428	2007	803	1597	3622	1666	1411	1910	2192	2096	2122	2129	1479	2201	1152	1674	2177	2521	1053	1354	1229	1494	86288	3294	1709	1488	2160	952	1613	2058	724	50569	508	1095	1851	2228	313	1445	1800	2006	733	1592	893	1757	69497	1054	1414	1231	1524	997	1984	1078	1045	1974	3160	1300	3568	2402	2127	1834	2088	2197	1086	2121	3824	1463	2009	1951	2635	2482	768	2203	1359	1623	2322	2201	1370	1708	1561	700	1517	1449	2562	1718	1892	1503	1139	1895	2285	1449	1397	1226	1741	485	1573	1688	2023	425	2764	1435	1243	2262	2505	2432	1992	1899	2512	1371	1134	1383	1320	2011	2438	734	4371	3024	2180	1867	1183	1275	1450	1113	2277	1201	2548	1765	343	2049	46794	1588	2093
hexadecane	21323	12890	10557	11964	14979	16608	12026	8952	18205	12942	3720	6850	16990	24405	15907	18762	22076	7500	9069	8391	16730	11675	22232	15127	9551	10031	14988	18432	6136	15568	14040	12269	6810	18282	8695	10299	6189	21271	8176	15024	11285	6467	12353	16116	6684	11697	5366	13922	23549	10827	22911	7664	37153	10911	18251	13470	11520	15521	14126	16373	22588	23463	17725	13129	20935	7488	9692	8793	15560	13940	8362	26519	10149	16882	21179	8941	11416	12369	12084	34569	29041	6829	14421	18335	5527	11640	16402	12931	26264	11590	39262	6379	15517	26022	12002	33186	16233	18468	20354	8825	9429	14226	17088	15333	26617	12683	23237	14864	15046	21498	18694	18796	13200	8037	13162	19481	13520	13152	17608	23421	26020	7635	19564	10059	15517	11602	11420	16695	14246	12290	23685	10776	20699	16284	19725	18006	11711	9728	18549	11189	12576	36766	13820	10363	17424	11983	6851	5551	10924	12685	12609	12783	17416	27315	9031	16171	14136	16654	12015	8282	14015	11453	19093	22974	17092	9612	18894	8628	17150	14195	17338	21919	15300	16555	4943	9913	10095	10470	17720	16384	14060	21813	6458	20789	19977	17499	12447	10976	14752	6231	35785	14592	10132	19823	10095	33655	11214	17382	9779	24513	17629	25289	16127	18987	7051	18758	15399	10075	12596	16452	9249	15205	4485	8843	9985	8430	11906	11415	6555	10076
heptadecanoic acid	6286	4107	4169	6175	3319	8217	5288	6742	4958	2170	3945	4768	7712	6311	6825	2218	7185	7176	6442	7084	8362	2551	9648	9549	6269	4897	4298	7400	5204	4571	6620	6397	5119	9783	3128	5570	4489	6090	3146	6760	6898	3227	4098	5064	4629	7337	4703	10705	4398	7413	3312	6107	6477	4077	5279	4232	3422	5766	5422	6867	5435	6091	2460	4855	6640	5067	5579	6446	6120	3082	6011	6405	4248	4886	5620	5097	5333	4967	4566	7472	5332	4860	7543	7421	4202	5625	5762	4577	5334	4901	7014	5101	9643	7222	5607	6339	5099	6863	6155	6872	6262	5022	5626	3773	3384	4193	7187	5636	5150	3757	6213	6694	9067	4384	5106	6963	2555	4810	6344	6833	0	3923	6141	3641	5419	5192	10950	3621	6981	4305	5057	3906	4555	6920	4701	6088	5388	6964	7748	4677	1831	5472	6908	4659	4574	7225	5955	4363	4417	6454	5037	4691	6521	8455	5179	3108	6554	6140	6502	3598	6519	7193	7525	4788	6610	5204	6572	4128	5683	6295	4286	8064	2479	4499	7599	5016	5107	7984	5127	1448	6142	4061	4102	5883	5687	4061	3294	7194	5054	3673	6301	7086	5413	7377	7071	9548	4862	3398	1256	6937	4495	5275	4807	6131	4192	5872	3678	5528	4484	4628	5300	4870	5182	3772	5998	3628	3878	14908	5722	5406
glycolic acid	13317	22774	18579	2870	26920	20527	21173	16135	19974	18712	13314	14459	21756	14029	20526	16282	17435	17328	14062	16567	13136	13157	16891	8414	11826	25354	18822	14818	17279	22085	2306	19393	9380	11621	20154	20899	12491	8125	14311	11593	15323	15424	17334	20851	20926	14939	20291	22539	21083	24832	17418	16145	16153	20069	11072	13317	15429	16596	21153	17665	9943	7240	17949	27900	15832	13832	9969	8687	13396	14992	9755	13575	25336	18475	12936	17209	31717	19274	14463	11487	15047	14379	23617	10086	18439	9970	8483	29246	9971	25210	19406	18435	26653	18226	27251	16498	27922	21289	20456	16015	14069	33238	15871	7761	8266	16169	13516	18625	19896	12484	25659	22329	18557	18888	21160	37223	18642	30896	17353	12088	14240	18658	15451	16872	14332	17775	15082	15790	18820	21636	15048	13728	16188	12817	23403	8929	18987	9315	18067	19722	19183	17441	19541	12177	15183	12134	14009	19050	13014	13994	15308	11492	10692	13703	16908	12713	15673	18747	7058	6759	12252	20008	16871	22584	5411	14034	10866	11643	13466	19992	23847	15236	19816	16639	19296	22348	19026	17392	17911	18959	16131	20398	20179	14359	8086	27848	18675	14936	15702	15003	20044	22625	23343	16395	12559	11581	12902	22177	23503	17068	25566	18371	18512	16453	13109	23305	17906	9830	15564	22796	21791	22000	18155	13165	18014	24510	17363	11621	19360	13308
glycine	159978	139285	144695	233446	180320	140174	150273	147858	126688	164882	97322	112968	151667	280838	225897	176342	162983	147386	157991	287505	127537	150918	167293	111871	134179	161508	149914	145952	122531	143128	155773	130007	195963	142985	133444	148236	140172	180905	105764	188094	140915	191596	139267	170781	176242	218978	126972	213598	231649	247690	144481	209247	200563	210823	157254	124197	154358	159361	178594	169550	147765	129961	187321	104810	142458	135156	98493	133484	141960	132881	165497	144424	115882	142418	280563	134247	186433	107442	145353	163781	162618	134308	137303	272792	145275	228144	192914	212197	132132	154797	178496	144262	148923	213517	200494	137021	143150	196493	156460	203940	220319	136691	163424	160168	171182	145555	157414	224668	130567	134068	226431	210740	117038	147045	157152	301593	287795	172651	191912	144115	174196	156009	186038	156863	146808	204413	156305	120478	104430	164602	164224	118240	202256	222815	202078	163709	175069	168768	141203	151430	200906	136737	148807	203209	127687	121193	177482	106234	118799	153536	138551	204068	184328	128378	172695	139698	147847	183379	153319	86807	155206	154786	100489	135351	140786	128340	250186	142773	179914	127765	145061	122427	190805	150240	140602	185693	143261	130805	115899	149371	111568	152228	130936	205119	191849	164363	167266	243229	241645	138610	135284	183797	148748	181710	120631	109887	172782	205064	178329	204407	136170	193102	125449	213806	141844	152239	145399	132731	132904	156729	127747	164877	140861	154648	205550	184145	167434	116794	142276	171109
glycerol-alpha-phosphate	2197	1179	2421	1585	977	1641	687	373	1486	810	729	336	1268	1241	1219	1100	1269	490	1091	2176	1931	1953	1822	2037	922	575	580	1647	642	839	487	664	440	2576	425	1300	643	887	1253	1135	1522	768	573	2227	1110	1057	943	1181	1324	2294	2414	1226	1829	813	1725	1878	834	895	846	1361	461	2421	751	1250	849	1536	2115	858	2308	1387	1236	1523	934	1498	2192	712	186	882	857	1389	1817	1522	1692	1638	1123	1816	858	1326	688	1557	709	2201	487	3410	894	1174	1496	1278	1495	1843	2610	1258	1479	341	607	1569	1618	383	1200	1201	1752	2419	1793	230	780	645	476	441	1472	1091	1535	754	2047	470	977	777	938	840	3848	680	1587	716	1046	1162	1825	1268	797	835	1147	786	773	2200	1823	1779	989	1440	1087	1255	520	961	1433	458	1701	327	761	1171	626	2209	1222	503	275	597	1163	1971	1124	1094	2103	1642	1392	1457	866	1477	1268	1141	2291	1332	931	1568	1303	2322	1229	972	1066	1291	1712	1389	146	909	489	857	1305	2173	916	1905	1552	2228	639	1595	1582	1799	997	984	341	1098	1126	1794	1487	1702	408	1344	1404	1042	828	923	681	634	1400	1211	749	1077
glycerol-3-galactoside	1651	853	783	556	1249	1545	1760	1811	1811	570	1656	2286	886	1323	1367	1779	660	1064	1910	1087	1023	4046	2099	1045	777	653	1415	859	879	1208	843	407	1354	2297	695	1136	1160	2185	2398	1382	1026	1391	1486	2084	1032	1866	1460	1569	1772	2706	1576	2454	1256	2058	4540	2474	2118	2526	1417	2725	2661	1065	1722	1992	1556	2048	2546	1868	2399	1323	1924	5049	1344	1301	230	326	659	1477	1167	3843	2666	726	1849	272	442	2316	315	2240	672	1028	5489	677	689	2966	1123	2502	1065	2699	2693	1603	2408	1704	2134	1982	1084	1644	1669	1980	1510	1290	1194	265	1748	1779	1142	1455	1359	1172	3545	2244	1676	2209	732	1880	1426	605	2722	3669	911	551	1763	1709	1627	2077	1482	1959	2323	2381	1784	1026	2807	2302	2183	4331	2749	567	1567	1759	1905	1807	3783	1771	1170	2608	1896	1275	1392	1074	3007	679	1183	2307	1923	2925	2550	825	2132	1979	2507	1822	931	1543	1184	2198	1101	991	1360	2191	1321	1770	1305	2875	1059	1165	1220	2008	2260	1661	1843	1478	1172	1521	1181	808	1114	1578	1142	2061	2039	2526	1667	253	1610	1392	1971	2790	1306	2025	1408	1662	677	1482	1295	712	763	1185	1847	1662	1651	1085
glycerol	171539	249167	259708	712106	682166	201657	195271	343749	765277	612969	237258	229127	299443	240280	291175	127537	238179	171361	649833	693279	792662	458523	758818	743919	201393	260285	289572	210048	123955	182197	171914	211011	737152	214389	127161	218596	422798	260438	190641	737588	757020	204913	185786	212358	252391	256436	321007	354846	649511	751957	294756	293039	306977	318870	504688	650492	702415	568411	231016	280167	169958	231193	255293	242297	328826	223911	322204	251019	228818	346006	289989	200675	201752	224211	191835	284073	366996	255914	171491	253417	193894	207784	261287	249262	130316	196930	307062	267175	325976	227247	330196	294915	183661	271495	383449	224618	276027	288262	262853	360661	293037	297900	247514	182408	122975	229072	185224	164581	155266	167919	328031	282036	170724	124442	286509	227393	238775	275271	202652	275215	166197	188818	264600	218405	232037	281206	285876	198186	198885	238289	218131	198666	228116	272121	126143	148895	126135	149048	266582	169222	218652	312700	239924	229593	174839	340472	264860	307188	231808	283628	177174	131445	188016	200327	252119	218983	765529	669010	755035	160742	225372	216825	249966	226666	310291	593638	552927	129195	129528	293338	400099	245956	536412	652716	398816	302097	286714	251518	324347	344924	247335	204747	277453	295643	287243	245855	235154	790345	687239	634326	227391	222303	735528	384795	394762	439124	625021	305010	161435	146413	214149	250851	243701	257036	139062	202422	219809	308698	155368	161035	312597	160201	117624	221950	188631	170445	137401	144969	173069	219764
glyceric acid	12871	9044	11861	12788	3638	9151	7046	15788	6768	14794	5496	5944	8887	8543	6953	8375	12526	7994	5496	5609	9477	3362	12138	11094	6128	7511	8341	14918	6597	7594	8396	6955	4555	7175	6017	5763	4525	10962	6823	7921	7132	6682	9466	6412	6910	2966	5557	8659	5387	9405	8323	10007	7793	14491	4196	6963	7286	7872	6072	9096	6689	10434	8114	8484	2838	649	8850	7340	9092	6253	3772	5753	2770	13371	11043	2360	11401	7255	8497	6657	11207	2283	7142	6949	7085	7934	9497	4656	6464	7841	7370	6125	6778	8412	4417	8149	8296	11164	7482	7933	6364	7091	4186	9845	8258	7922	10973	5598	4362	8317	8867	11312	8851	6299	9657	3378	7308	9402	6897	8255	13527	2832	16720	6704	5123	6347	1666	1584	7848	7607	8078	8014	5382	11274	11017	7092	8426	6340	2799	8627	6372	5623	10097	5794	6108	13403	11620	7103	8421	8804	7370	3454	5015	9190	7043	5996	8790	5062	6400	3609	8201	10191	6719	8374	7747	4263	8013	6447	8808	8486	6829	6085	8968	8617	10899	10041	6433	9607	6445	20471	8143	14082	5514	10471	7234	5176	5957	6801	6869	3489	13218	9087	6017	10422	13082	13025	4249	10111	8281	9688	5786	9001	7575	13032	7950	12659	9705	11546	6427	7494	7694	6627	7832	5054	9490	13265	10437	11615	7216	27284
glutamine	22906	8142	19276	15985	10097	30414	15322	17332	12629	21595	18427	14117	20502	8592	43053	40007	6947	21034	26566	13436	12727	16041	18392	21997	7332	49194	9139	6741	14231	1434	16828	31116	47356	663	24415	27872	18817	23613	9175	9693	12219	39789	26051	14115	6997	19412	28708	10409	3501	7931	12035	5733	13232	15279	15534	16090	6597	14364	11060	8081	28174	36434	8821	19924	19994	14941	5116	24384	23481	20549	17633	46197	16853	10501	6258	23849	10440	17771	11725	24244	17138	28182	6954	9339	17581	12436	11442	8462	20380	6057	51859	14726	7327	11982	11680	8068	17723	16222	23075	15010	16505	35068	15724	34524	13461	13126	17387	9945	22559	4763	1470	9822	23429	15127	16436	29951	14667	19724	7512	15822	7171	25456	13423	40827	13414	11311	24936	8748	15248	11589	18048	6140	23722	12175	21420	7031	16997	19087	9650	4379	34244	13872	12946	17612	13517	25987	19428	9317	26493	5932	16874	20475	5690	12013	16862	24594	12363	14428	6499	6428	7701	18222	3444	18648	16870	27236	18038	17010	16397	9249	21600	50662	13581	17902	6126	6672	11709	20283	29915	5842	17783	15379	31938	12340	15170	14053	11241	5865	8413	7671	747	15297	11009	25951	17352	5814	25667	13298	30125	10713	13507	24948	36143	10403	23402	20835	7729	20332	22029	17252	14165	9088	18909	26089	11176	14306	23567	13820	16381	2247
glutamic acid	2528	2229	4084	1327	1820	4935	8494	1386	1899	12104	1055	986	4289	9144	3982	3072	139	9611	1014	1120	140	3810	8074	27709	1943	1410	1600	6306	4245	3386	4195	1755	1356	134	1712	4420	903	21709	1376	7506	1809	7013	1646	5119	3550	1328	1282	135	112	123	118286	973	2180	8910	4333	1073	1684	1270	2632	3746	771	3983	1469	621	2851	234	1804	2425	2232	1165	966	1536	1354	4898	134	2322	1715	2242	98	342	4857	1610	782	2879	1515	908	775	120	1452	1459	1740	4023	772	4716	2541	885	3162	1111	1786	1706	2549	6704	878	2536	1803	4535	6494	1709	1389	6049	3016	11097	3873	1597	123	141	4721	2381	921	791	138	5198	12089	2381	3020	5413	31390	584	6204	7408	530	944	931	1312	7985	2835	2158	1416	1222	2276	4400	3008	10221	989	1494	1894	1434	1675	1641	4293	2537	3745	278	2205	2415	2052	1423	8397	998	1262	133	121	130	6127	1414	1302	1248	1362	4532	5516	19969	6545	3239	1644	2387	1372	2269	11382	1187	10467	6923	3824	1960	116	7857	4655	1623	752	2360	15698	824	973	5411	141	1007	174	1748	956	2968	3280	10794	4440	10235	57179	3096	4819	6501	2727	3232	4548	2504	3408	1758	2212	128	1394	2776	348	2888	131
glucose-1-phosphate	1747	1934	3014	2226	2096	3324	3835	1859	2338	1969	3257	2135	2194	3331	3335	2388	2391	2432	2602	3980	3546	2859	2297	2748	2787	2371	1437	3610	2429	3245	2924	1834	2255	2499	1797	2775	2556	2048	1885	2879	2181	1813	1327	2065	3268	2745	2333	3208	2150	3458	1710	3026	2374	647	1957	2258	3078	2623	2522	4259	1661	2773	2085	2949	3012	1563	2187	1489	2051	2274	3893	2889	3217	2497	1599	2164	2038	2050	1723	1699	2338	2074	2506	2855	1703	1483	3658	3794	1708	1966	1720	2530	1710	3349	2980	2058	3177	2201	1662	3359	2955	3392	2358	1128	1333	2839	3827	1952	2379	1449	2329	3805	2659	1925	2156	4559	2740	2281	2333	1558	1936	1772	2682	1880	2081	1454	2669	1507	1132	1786	1640	1702	1260	2779	2109	1460	2231	1804	2334	1614	3075	2614	2205	4013	2202	4371	3919	2210	1657	1723	2393	1293	3378	3424	2051	2805	1413	2240	2378	1881	2981	2215	2816	2951	3630	2698	1996	2109	2277	3741	1735	3059	2610	1643	4565	3370	2075	2131	2214	3072	2233	1831	1555	1353	2063	2426	1998	3606	2457	2891	2213	4432	3599	1553	3147	4891	3034	3762	2987	1573	1385	2089	2256	3251	2249	2520	2368	4149	2976	3121	3067	2845	1565	1689	2862	2165	2629	3465	2848	2287
glucose	88370	117528	80416	69817	84915	116819	112089	115331	112140	58289	96266	68185	48489	84353	110648	83355	75772	72793	110865	81322	98122	112972	98860	79047	106604	97226	74742	64084	88705	95230	115307	104629	106773	41329	69734	109720	65003	54502	56514	81919	49115	104149	82945	87707	80612	78725	59989	88580	86606	56575	95702	97763	126580	113482	101403	55328	74611	76080	64371	98800	45838	71359	98941	84751	109569	35217	60022	85573	116434	57448	109665	118034	125147	80108	26840	132565	101734	116134	73038	100455	80466	84260	84986	73142	81252	118098	92833	88218	48074	83457	100556	80167	18604	114423	88921	117248	122181	27946	69556	80471	75650	96777	115803	57082	73858	90445	83216	55726	76313	79500	97357	73528	31595	114931	9321	93997	94291	155908	79183	4396	22593	58059	80967	108778	94354	63449	91307	101282	35057	102202	53372	65018	90204	25883	50636	92191	103408	62204	100025	58627	104947	117254	156235	87684	92289	115564	125223	77361	60024	86095	96312	75472	45061	108096	80769	94757	105167	83796	7021	37764	110686	45770	97570	124755	86728	118502	45264	47768	101474	121273	80803	96513	92906	92995	103169	64784	100479	93874	58194	91866	60778	64350	66346	52900	77796	83405	95415	70860	95618	51250	95499	84488	85400	42559	61700	88089	88417	97228	99376	90012	69604	79999	50406	52280	57576	77746	118359	112421	87318	106816	94653	136531	129136	100205	82992	134468	58428	35754	70997	50451
fumaric acid	4476	7056	4620	11094	5077	3399	4509	10370	9499	6618	10680	7387	7067	5160	6439	5523	9908	6984	3828	12514	6538	6409	4809	6355	4568	3293	3821	6675	6414	5796	7594	10271	5322	7101	3837	4970	8844	7403	9423	8570	7989	5854	3553	3876	4698	11557	2836	13331	9083	21004	6681	10223	3630	4333	4849	10176	4652	8990	3930	12104	7296	5226	1293	10383	6064	6239	16646	2901	4075	9797	17103	2016	5549	5160	3109	6587	5470	1535	1354	3919	6164	14352	11396	16395	6948	12283	9837	3357	9577	1691	6130	4119	6251	3736	7187	5246	4669	9842	3048	10438	6324	1499	2520	3116	3938	5914	4071	6172	6301	2122	6525	9067	5101	6099	8569	8363	7102	4826	11809	10275	7935	7008	10286	5626	4322	5932	3747	4996	932	6481	6735	6252	6293	1716	6977	7662	6408	11586	11404	5053	3903	4029	5599	11413	5980	14195	13683	9826	7769	5671	4844	12525	9318	3162	2847	3098	5393	4317	12865	4012	7919	3829	11670	2235	12795	6852	8049	8930	7865	511	2543	3645	3525	5870	16495	4588	10663	3216	7632	2778	2105	3815	7453	7828	3829	2520	6530	21221	4744	4768	3294	12233	4938	6447	10256	3983	8047	10141	3024	3149	6357	5586	5116	12424	4761	8634	2226	3302	6115	5300	10725	5671	7007	7185	8683	4364	5325	2310	4604	5735
fucose	991	1276	711	1645	1653	1812	1348	2035	1862	1044	1096	569	1677	2450	2411	1165	1358	567	1447	850	1454	1254	1324	1736	1538	1737	1152	1771	1214	1435	1180	1679	1873	375	1426	1787	1154	838	1172	808	1375	1191	488	971	1228	1401	978	1889	98	1928	1099	1201	2330	1751	409	1075	1289	524	1328	1552	527	1305	730	1568	1563	1290	1141	1461	1142	1039	1416	1188	1277	958	1053	1250	1601	1652	499	714	1277	1595	1691	1774	1784	1986	1501	1421	1457	1209	1842	458	976	1481	1310	951	1743	988	1366	1336	1714	854	1083	941	1185	1047	1804	777	1669	1025	2535	1867	1482	1190	1075	1862	1486	686	1152	667	867	1204	1530	1598	1746	1758	750	843	768	1495	1289	1407	1968	343	1444	1126	1612	779	1708	1413	1103	1340	936	1919	852	1464	1498	1127	968	1381	1404	617	1285	1736	722	741	1096	1602	1388	570	1892	193	1430	961	1149	1608	901	1145	1671	1657	834	1380	1403	1697	1491	1152	833	940	1154	1361	545	993	1627	1352	1585	946	1354	1314	841	370	1412	1476	1115	1606	1448	2503	1275	1411	850	991	442	1927	1138	1772	878	1610	630	1633	1110	146	1402	1488	1282	1125	1091	1421	1213	780	474	1374
fructose	1026	2509	101944	6485	2689	1036	2551	5797	9987	894	1640	2870	9776	12700	7806	1065	985	3414	872	15845	992	8137	965	1013	5180	904	3144	1020	3758	7439	2882	2363	7660	5639	3779	2691	3796	8644	1221	6483	3757	4366	4657	916	6518	4111	3870	3658	19875	5974	8102	4515	1037	939	890	840	2276	4655	3111	3315	8246	6454	3417	3117	15655	5166	3235	4780	986	7526	3438	35262	2716	4909	951	6138	855	1901	696	1021	912	3252	2567	2575	12158	3324	2476	67020	2246	18778	2800	7719	3280	1154	8815	2706	13381	14914	973	8757	929	111518	3016	844	846	2881	1027	7812	1885	866	1102	6138	999	2891	21968	7361	3060	6095	2209	3884	977	6737	4408	2452	976	807	1009	827	1097	864	17332	784	3562	4595	965	854	3675	7592	45652	933	4179	983	13555	3775	3134	2933	2701	2893	4048	881	889	5946	7049	2443	854	3470	12869	1008	3096	4372	942	7593	920	1029	21544	9125	4091	11614	993	25460	11619	1137	5575	44321	3506	838	2106	979	851	1052	4692	930	6737	820	1048	2849	2741	2518	2193	8035	11221	3900	17636	4724	1982	1233	3021	2094	925	942	3492	2733	2690	6621	5358	2832	1030	2189	6366	3316	5046	3872	13847	2356	906	909	12322	7964	2157	928
ethanolamine	27837	50844	30401	34672	28911	36848	33707	44749	45103	39222	35920	24825	33222	23446	26908	36140	43203	27686	35909	45908	36355	33310	37008	40727	34249	35592	30760	25358	27204	26077	30915	34814	41557	35811	31478	23116	26942	36276	38792	35385	40030	24818	37273	21450	22370	31603	38185	30952	24616	31441	25000	34135	34412	24746	34533	34652	30759	38124	28820	35741	36889	18455	30555	32239	31974	28620	37152	27285	30123	31172	43363	30732	28910	35274	28092	37138	67839	35199	24324	42798	37086	38471	33096	45416	23697	32006	37241	26449	35283	37149	38747	25951	28030	32675	44768	31672	33652	28066	34365	31658	30461	32372	31884	36316	26373	22216	24190	30000	22866	25767	25276	23841	27733	31917	36033	28280	38631	37881	35144	35237	28484	22348	38728	33119	28302	19980	31480	26316	32454	18607	28889	23464	18564	37754	34019	30416	30549	43591	33852	28273	31885	29929	22682	32100	29551	50953	46888	28140	41730	28312	26450	42303	27298	42474	25161	20204	35103	21974	32672	16300	31695	24684	31668	26432	34541	31307	31029	23854	31474	22423	35910	32479	24580	34495	39633	16999	34642	28206	34550	23792	23264	29148	27463	28153	32498	24177	53761	38561	43587	46106	36702	35501	45203	50861	41931	43776	36816	34173	30334	24989	23925	52202	35101	53090	34708	44349	25357	58671	31268	35121	36534	22831	28045	28475	28709	33620	23214	28575	35334	33644
erythritol	4403	2560	854	2605	2472	3882	2192	4187	3217	3782	1872	1426	2993	6587	3593	2576	3039	2279	2401	1617	6140	2273	4223	3816	3822	2759	898	5224	3243	4187	3862	1846	2085	5662	1182	3197	1529	3986	1576	2961	2753	2766	2128	5887	4437	2622	1833	2411	3862	3028	4367	3372	6885	4182	2629	2208	2431	2445	1889	2580	2293	3866	1967	2788	2460	1135	1680	2211	3448	2466	3380	2435	2170	2311	4222	2147	3667	2309	2748	3187	5937	3222	2381	2557	1804	2567	1941	3077	2831	3574	2816	2467	2730	6923	2103	3163	2336	2197	3451	3067	5218	3141	2077	5247	3441	3723	5434	3065	2107	3672	5504	3053	4366	784	3758	3861	3244	3205	2782	3862	3896	3159	4500	2625	4937	4285	7065	2796	5741	5229	1161	3061	2401	3873	5925	2609	4084	1888	3427	3880	2789	5775	4697	2173	2845	3229	2781	2040	3325	3985	3639	2150	3124	3844	4098	2019	4040	5756	2986	1322	4283	2752	4354	6985	2893	2097	1997	3071	4004	2511	2858	3215	2384	3020	1510	4572	2549	5334	2042	6749	3416	6225	2704	3338	5406	3215	2752	2560	2733	2007	3830	2403	2432	2109	2176	5458	1981	2431	3538	4233	3578	2277	1949	2694	2352	4320	7814	3250	2476	1860	2611	3692	2962	2271	4481	3288	2346	3098	2712	5201
dodecanol	1437	963	1063	1402	1232	1414	1829	1025	2643	1176	790	1044	1335	1766	1402	1848	1532	1110	1742	1308	1623	1715	1512	1451	1529	1404	1425	1384	958	1489	1270	1238	1020	1231	1120	1559	720	939	772	1631	1503	1261	1036	1058	1115	1476	1133	2472	1286	1829	1345	1465	2094	1219	1811	1293	1527	1422	1332	1395	1507	1294	1467	1211	1568	1245	1311	1144	1264	1278	1526	1405	1294	1146	1135	1118	1456	1176	869	2322	1268	1482	1787	1521	1235	1487	1566	1567	1400	1365	1993	1186	1476	1713	1213	2007	1320	1393	1880	1336	1117	1345	1892	1090	1399	1052	1372	1574	1291	1093	2812	1404	1288	925	1290	1894	1125	1155	1931	2456	1698	1071	1444	973	1662	1184	1371	1109	1258	1023	1383	262	1164	1402	1375	1896	1564	1408	2121	1377	1311	1949	1363	1468	994	1872	1658	1192	1163	1845	1575	786	1444	1859	1280	1498	1312	2166	1661	824	1415	1090	1832	1035	1659	1389	1436	1048	1312	1913	1821	1710	1335	1958	1854	1187	5682	1328	1149	1217	1118	1076	1229	1407	1950	1411	1144	1514	1327	891	1946	1493	1044	1617	2050	1447	1074	1532	1138	2100	1131	1269	1192	1859	897	1161	1166	1416	1049	1294	1177	1353	966	1007	1512	1324	811	3256	1683	1571
D-erythro-sphingosine	2053	747	1972	2902	1017	2635	1439	1516	1818	1140	678	1033	2840	4104	3953	2883	6660	2968	2093	2155	1623	2862	3359	2385	1790	6031	1436	5750	1336	1078	1504	1618	1925	2101	2041	2479	690	7976	818	3518	4939	2262	1644	1967	1925	8065	2250	4027	2476	3522	5148	974	1990	1203	6002	4600	2086	3147	1609	2505	3620	2413	646	972	1184	1947	1875	1604	2599	2480	3509	6958	615	734	3006	2295	1141	1667	2338	5838	1936	4197	2735	2866	1399	2114	2636	1598	4410	1498	4485	1942	582	2558	513	2080	1903	2967	3531	3089	3098	4697	2750	2165	1954	1698	3868	1446	1249	1609	2746	1841	2246	1645	4593	2857	1679	1686	2692	7371	1959	1529	3780	2056	2484	2930	6277	3991	2945	1716	3732	1233	3100	912	4005	2461	2494	2836	2936	1931	3480	3914	4404	4086	1357	2723	5491	1438	1415	3930	4220	1697	4088	1941	2010	2852	2595	3548	3197	2308	5070	2728	2833	3936	4260	1819	4290	2980	3767	4734	3040	4050	4427	3346	1762	2125	1607	5646	4154	2971	4101	1616	1772	3020	5760	2192	1065	2385	1366	2013	2007	2009	1618	11305	3846	5758	1777	4187	7277	3755	2614	2534	1518	2588	2258	2913	2409	2057	1379	2054	1173	1354	985	789	2733	1354	1682	1280	1012	754
cystine	572	1614	876	2593	892	937	980	647	689	707	1022	643	708	354	476	1076	195	611	927	2102	1063	1516	394	1126	410	492	321	184	882	789	539	2360	870	436	494	870	665	1008	498	961	1135	746	2095	711	436	2137	1304	338	775	1172	584	5160	896	676	1037	580	946	1101	1199	3478	786	862	914	1385	1739	1472	187	1215	2023	3227	2379	1461	786	334	1800	742	138	512	250	733	645	1927	399	272	1012	6392	6964	641	851	431	2692	959	1965	2656	984	1045	716	1229	508	2217	1576	424	1035	765	1528	437	1116	621	714	357	864	1460	913	4101	472	2601	196	2912	686	1466	692	899	1518	1486	1246	968	343	668	822	1351	3697	953	887	1193	1223	979	571	227	193	829	1085	1611	1613	1425	2478	4080	6576	552	438	1393	1747	632	4435	968	432	1452	780	1424	1091	766	303	373	229	1506	1209	720	1403	2997	5491	1155	503	1127	1173	1786	386	1121	558	277	910	801	113	1301	1706	259	267	780	733	625	261	1028	217	782	677	2564	2253	349	882	2425	678	538	437	2548	467	724	387	2323	415	1945	392	816	622	738	1409	1421	388	487	422	190	903	69
cysteine	3352	1502	248	2163	218	601	671	4714	5336	205	492	696	2260	106	779	171	2374	255	141	2113	124	299	367	356	2711	149	210	223	232	153	1109	3760	1105	28	279	388	268	1650	413	1935	2424	209	5246	837	263	2153	484	3445	155	3152	270	2843	144	93	296	1993	392	1575	200	2276	1053	332	358	1316	4872	2429	3650	219	200	1768	3044	253	319	235	1960	2848	395	1708	159	136	2979	1794	2505	2121	714	2454	2401	205	1516	3256	3256	66	83	3453	1177	78	216	3725	4846	2412	5829	142	5439	189	4433	155	225	338	699	2486	4629	3033	261	3280	1788	2331	289	4368	3296	2323	1224	362	2319	1108	250	430	148	75	1782	400	1635	212	362	1047	2259	3563	1151	1611	2095	253	743	2724	223	2871	155	3641	2907	1466	1582	4821	208	3985	2028	198	117	443	3744	134	2416	718	1842	332	3026	2482	2024	549	1649	95	223	94	172	422	207	159	3449	72	3777	149	1351	89	146	2014	553	2046	1876	197	1726	3025	682	411	3029	2708	303	2398	2161	2712	485	2856	400	4313	52	2265	88	2020	199	2541	221	2569	77	525	1994	256	1569	979	1514	1096	395	1977	866	389
creatinine	430	1408	6224	1550	225	2133	2771	3722	16356	11186	854	499	381	3851	2587	367	7	979	231	22	7	535	2166	5926	64	744	366	2818	669	351	2171	1536	2551	6	971	3224	298	27	967	170	2149	634	2514	2360	1412	58	885	245	3201	3244	4404	0	616	5751	1111	127	83	213	538	1338	239	3203	967	210	519	108	0	1175	745	58	139	882	730	3040	5647	1338	1964	1663	995975	1200	1531	0	2022	484	1086	132	536	1513	833	1593	589	58412	1428	231	1405	776	1323	36	51	0	66	1104	65	450	255	1453	8930	841	710	228	7	4750	2959	959	208	2488	571	1927	168	28	923	162	0	1383	654	2098	4402	54	790	349	91	64	1211	2222	13	0	2013	63	273	376	952	32	635	55	60	739	683	2001	1099	180	646	2149	1437	1325	1241	1415	1927	1563	89	132	710	1330	6	978	330	1560	2659	94	341	1187	2136	2141	2064	1678	1406	1924	1199	1689	87	29996	2430	416	1017	2897	4815	567	3017	1174	139	1930	54	827	1249	2807	172	1110	1428	0	1490	105	1316	117	1002	1087	741	0	2653	92	879	1278	27	1362	1172	1203	663	2304	1605	742	2312	39
conduritol-beta-epoxide	2954	2808	5100	5854	3365	3231	3423	3928	3143	2851	4092	4310	2566	3601	4457	2158	3167	2751	3273	2794	3210	3352	2684	2904	2088	3545	2445	2148	4334	3103	5634	3512	1808	4993	2460	3173	3251	2123	4785	2893	2819	3089	3012	4194	4029	2912	3571	3603	3386	4897	4637	5974	2763	2572	3428	4314	2665	3442	2788	3796	1993	4125	3270	3161	2780	4339	3939	3777	4587	4150	4587	2709	2341	4312	2066	3945	1715	2907	2979	3385	3113	5177	4574	3145	4526	3835	2836	2894	4309	3919	2201	2879	4166	4637	2129	3645	3063	3869	3064	3828	2964	2692	2567	1442	2638	2476	4450	3836	3661	1558	1865	2859	4870	4511	2869	3807	1970	4152	4785	3445	3311	3250	2477	2988	2571	1750	3020	3131	1429	1926	3603	4406	4203	3064	3972	3318	3494	5230	5425	4308	3762	3886	2900	4142	4215	4500	7104	4123	4245	3274	3675	3745	5498	5265	2194	2124	2578	3146	4808	823	2477	2905	2935	3426	4695	3638	2982	3943	3801	2679	1651	2680	2668	3045	3912	2590	3800	2450	2866	2376	2292	2852	2936	2063	1361	3232	2233	4286	1724	1977	2200	3325	2958	2137	2658	2110	3578	3402	3525	3152	2881	3958	5169	4853	4534	3220	4103	3686	3119	3376	3925	1934	2402	3440	1843	2703	2935	3208	2251	2511
citrulline	22043	15015	28107	26396	26873	20458	19742	15627	16944	17063	37297	36535	24023	16351	28777	27342	20175	29631	22248	30606	16039	20132	17604	23186	11889	27175	24469	13251	22774	15319	21794	23475	22198	3692	37594	30515	46820	19890	35078	16634	18677	18362	19500	17113	13250	32091	33209	25401	14402	33242	15365	24453	14160	15828	19132	24329	23429	20674	26220	24523	25888	26241	32398	20462	22226	32874	25390	27699	24861	25438	22272	27078	25917	22264	21062	19574	15000	20351	17125	17084	16973	23163	24341	17767	25665	14729	24459	19582	35693	17087	22824	15853	52192	18847	23883	18615	21497	28594	18744	27070	20104	35610	30796	18944	20738	15249	27365	19131	39028	11890	6849	23581	30703	25628	17095	31576	19249	14975	25259	36108	38276	31237	15318	21102	14631	16023	19685	23860	13111	16980	22990	38432	27942	36840	19674	12536	21910	23310	22513	16814	30145	12339	12862	27506	17313	24389	28232	15429	22614	16823	24319	15658	35395	22323	23499	32910	10221	15323	22749	13760	17344	27255	9841	14148	29274	37430	42862	25141	22441	20162	24278	39312	23847	19164	21769	11383	17807	12538	24254	7683	18235	17873	24839	16162	13454	29903	15146	29653	28905	27893	4366	24025	22738	21699	26145	12033	38002	25979	23598	20869	17532	20379	34943	34082	34467	18834	17423	24301	26538	22983	16346	17613	18943	20610	12290	13383	30858	44465	25116	8657
citric acid	147577	122359	159628	183129	198355	119762	145641	167415	168121	113456	91693	104284	124529	147630	174033	131066	159379	130241	160618	165185	139677	141572	156803	138474	138913	204753	130048	183113	108147	122938	140211	170466	160096	186281	65353	154113	118347	118330	93164	108169	142826	109262	97623	93443	115187	156055	131370	199276	127945	182876	140315	164940	125736	159193	117945	121725	124060	160049	116408	173991	104596	142399	146326	124463	146891	148058	158101	127524	155276	152629	212558	158606	123827	95853	123382	128361	132758	141684	81660	89642	82045	197498	175826	263082	136308	188506	149728	106011	129192	91709	157546	155393	134748	177190	118554	171423	116141	161138	105089	145712	168405	89490	145416	84228	115982	116423	141094	108753	125589	74367	148863	170381	114860	138795	116815	165935	165216	122047	212253	162704	123330	118516	135063	113154	149395	135524	160939	91849	70403	139211	146830	133090	149480	133231	133111	114711	108040	116286	159810	167704	149951	138087	172409	218500	105608	173099	361900	161911	95610	120655	147128	132941	170969	129000	78942	119044	138266	131729	183084	70116	187257	109548	141923	128374	160982	138480	103010	127056	170033	170966	115230	132939	157920	155745	145700	122176	111362	105141	171301	113752	86076	86453	163873	109665	112338	115206	143694	164195	155302	102952	135960	140981	106032	131643	160630	91042	163464	139874	77746	113386	144409	136896	101400	145211	74708	161795	111489	186518	102535	125979	105653	135716	141654	106452	151846	128550	105495	119107	133620	63359
catechol	514	494	626	412	356	198	672	371	626	689	522	912	508	1189	1014	488	190	367	771	1105	710	717	428	242	280	366	922	881	605	467	812	664	427	754	680	688	562	572	997	784	950	186	1058	318	202	897	976	757	325	416	272	1570	1042	897	675	791	592	775	332	800	993	778	844	992	776	823	1155	511	406	583	987	678	1189	942	667	749	818	1251	328	851	656	1103	579	622	754	743	672	801	568	485	1529	640	1035	814	361	310	591	618	274	1272	949	557	458	568	866	528	269	410	719	582	717	1071	795	981	669	1289	938	966	810	1248	941	968	844	775	1165	762	485	838	418	218	996	870	818	760	883	524	441	638	672	1128	1185	869	445	565	467	444	888	459	356	325	761	741	963	1414	671	657	788	1119	1323	369	839	711	911	558	1254	926	780	774	1090	447	558	563	576	847	1103	646	494	633	953	876	498	555	865	789	475	980	745	525	510	445	819	1198	950	526	851	445	1078	919	732	769	885	228	732	348	667	923	559	824	633	1053	369	535	800	543	598	608	976	1195	1097	1341
caprylic acid	2497	2168	2100	3962	2829	4392	3010	3385	2861	3780	1844	2027	4186	2586	2903	2801	3961	3159	3226	3443	4225	2202	4334	4608	2040	2811	3227	3974	3212	2625	3182	2639	3440	3634	2387	2590	1889	3485	1820	3944	4556	2327	2480	4116	2444	3476	2556	4761	2731	3789	4610	3675	2413	2895	2622	4036	3019	4663	2401	3325	3725	3956	3272	3652	2529	3335	3202	3426	2365	3851	3281	2641	2583	3398	3286	2680	2860	2476	2879	2602	2348	3627	4086	3770	2874	3585	3531	2620	3195	2253	2680	2439	3144	3657	2956	2165	3433	7566	2838	1822	3151	2570	2425	1740	1947	2247	3617	2490	2106	1941	2754	3120	3698	2391	3986	3975	2424	3019	3578	3588	2856	3091	3573	2730	3231	3095	4063	2065	2394	2062	4192	2412	2104	3143	3949	3510	2597	3195	4895	2694	2982	3189	4059	3734	2123	4449	5028	2259	3628	2077	2310	2203	2999	4157	2583	2711	3271	3105	3744	1758	3766	3055	4474	2416	4332	2372	1906	3698	2296	2863	2848	4105	3006	3103	4056	2156	3026	3636	3646	4392	3567	2090	2202	3664	3491	3290	2690	3610	3190	2521	2465	4122	2971	4700	3459	4555	3029	4700	3653	2076	3416	3484	2556	2434	2717	4355	3342	3369	3048	2442	3967	2427	2024	2307	3883	2693	1994	2816	3158	3964
capric acid	1187	1020	880	431	1439	1298	1163	1092	1726	1533	825	1076	1871	1506	1470	1655	979	1111	1074	1304	1535	1152	1531	1772	1153	286	1137	1628	822	1381	1459	1258	1182	2137	1012	1100	836	1246	760	1362	800	981	892	1492	985	1390	960	1941	1072	961	1514	1275	1641	1151	1124	1106	866	1353	1029	1473	913	1301	1072	1388	1107	913	883	652	920	1084	1143	1175	197	1252	1176	1121	1295	1289	922	1461	1161	1318	1522	1477	1008	1686	1065	1295	1394	248	1793	303	1279	877	1418	1589	1577	1629	1539	1677	1369	970	776	940	833	897	1388	1338	862	857	1860	1497	1048	1018	1287	1675	1092	714	1611	1755	1354	1316	1666	359	827	1166	1103	1118	1144	811	1053	1479	1141	1245	1653	1349	1421	1056	1397	1119	1261	1516	413	1647	1016	1915	1057	1023	1191	1157	1263	753	1645	1544	1030	1100	1089	1328	1183	744	1134	1416	1530	1028	1659	854	882	1348	1333	1105	1353	357	1047	1161	1765	214	1105	1125	1218	1430	1287	281	722	1263	1490	1452	1166	1213	613	864	1940	1306	1060	1289	1922	2200	1174	1670	1062	1325	1288	1255	1649	1651	871	1475	1321	1033	736	1354	1053	1103	972	1298	860	822	1051	1480	1258	1162
beta-alanine	11812	16946	15679	14102	10148	20504	17411	19907	10692	16106	12329	10706	17574	14301	21111	20027	14710	14181	14875	11893	23234	9751	15072	17010	17003	23317	15393	19919	13065	13156	14511	19552	16508	34776	9399	16638	10352	26440	10629	8883	10040	13259	13787	14738	15988	21230	18075	10513	8266	6368	15353	13212	16396	18112	12449	12271	8094	11526	11668	12207	16004	16127	14325	14685	13186	9079	7145	13267	13728	10963	19616	17364	12121	13457	15766	12636	18813	15857	20159	20724	17544	18114	9864	6994	11122	10371	10264	18360	14822	15676	21125	21692	23970	14913	11276	7652	19869	12090	17910	10729	9706	16564	8751	12943	14186	11103	13854	11482	13381	10145	11998	12039	17651	13548	20875	14481	14283	18326	7138	23343	15980	12623	18630	15552	9054	9425	20653	12328	29156	13611	13247	5878	9118	10712	20012	15338	23082	8711	10210	19125	16619	11177	10994	12496	9326	24576	18184	11358	17084	10237	14289	14372	9523	10467	21259	14798	19966	16996	12291	7625	13320	17170	10689	20623	23575	7386	8494	13638	15853	16101	22956	24843	10480	7751	13959	11494	14124	21662	17814	39215	15827	17029	12111	8668	24112	9447	17648	5025	9090	11053	9166	10074	14481	13134	18917	29590	13711	13167	19364	14335	17387	16701	17202	18083	13389	17628	18410	19940	17081	16331	13715	14038	14320	15987	17455	15438	10528	17581	15256	7269
benzoic acid	23708	4310	20993	7740	4610	28293	49713	7474	4239	596	7820	4053	8570	53537	4746	6199	5441	17034	7736	8944	31495	4916	91238	21137	7135	10547	11402	32002	13395	10431	25032	14466	14431	20887	1277	11521	10209	15537	20832	9071	6755	22750	22589	65603	9415	8616	5434	7846	19263	9122	28063	6751	9619	16752	4731	7847	25576	8450	7065	7482	9970	13341	7173	8434	8298	8911	12084	13076	33523	12404	6390	17302	11177	46442	27110	14347	13651	9846	16046	25112	3082	7157	16632	16906	12605	7303	8386	10889	8414	6013	25234	50832	7475	8903	44792	3203	9273	8380	5231	8161	8015	8263	3523	9480	3689	8500	22572	31539	5887	539016	8312	14067	52340	22643	18779	9694	20517	21705	16397	25281	21381	35527	8622	7670	17086	10525	35713	2698	18045	21101	9573	11217	2215	10104	10433	21232	8604	12053	8686	36103	5759	8954	19134	8209	3041	9481	9636	4141	6626	5805	4784	1295	12020	8106	8247	8927	7977	6941	8120	6310	9787	11151	8066	6790	9692	6986	7646	7924	5601	12650	24625	16731	13443	6738	8593	17854	4252	3395	9319	83441	18982	6767	3236	7181	11759	7985	6305	22235	3980	14579	8121	8464	4540	11946	9586	32120	6391	7675	11357	3688	5671	10935	6885	8196	3149	8218	28077	6577	14638	6650	5461	8412	2869	5310	10189	5706	15200	8173	13060	12464
aspartic acid	3987	5458	4628	5734	2495	6145	5384	5753	4373	3230	3284	2191	6737	3507	3776	4963	4090	3526	3153	4331	5203	6850	6513	4721	4851	2930	3570	2794	5084	3798	7680	4764	2922	2428	2529	3711	2680	4063	4138	5931	3899	4301	4549	5374	3770	3663	3756	3699	6323	3711	5156	5453	4322	3978	7462	3861	2107	3702	3644	6034	4855	6141	4812	3179	4648	2861	6212	3055	4277	2728	5110	4859	2659	4531	6369	4684	3490	5025	4569	3275	7667	7560	3483	7267	4711	5286	4444	5191	3108	5245	4035	3078	3516	6704	7080	3697	3787	2639	3987	4293	6000	5683	3776	7091	4315	2725	3953	5807	3288	3014	6042	2786	5248	3447	3126	4488	4950	4493	4134	3680	3876	3461	6814	3919	4683	4953	6968	3073	4620	5922	3912	2817	2392	5382	5823	7497	4320	9227	4227	4479	4925	5990	4736	4872	2565	4073	6529	2588	3652	4079	4710	11206	3725	5078	3701	2984	3934	4702	3707	1498	3066	3610	2148	6553	3276	4289	2656	5404	7696	3120	2127	5274	2590	3064	4096	2418	6253	4787	3064	4141	4044	4731	2970	2744	3315	2851	7723	4566	9574	3790	6116	2383	4994	4039	3459	2527	3578	3449	8051	1393	2673	4099	2876	5164	4640	7257	5540	6449	3906	4073	5046	4353	4606	5097	3876	4393	3551	3139	5088	737
asparagine	1474	1847	977	1131	1473	2253	709	1955	1055	1022	1901	1873	840	289	2467	2800	709	603	1193	655	860	1749	1459	1403	266	1170	1251	1461	1891	824	2562	1956	2329	206	1151	1203	1501	868	1080	693	619	821	2300	2276	467	744	1752	57710	456	41240	1064	704	930	788	1877	667	823	531	1728	669	816	1788	2146	442	834	462	502	1271	1151	727	557	1997	466	687	604	1920	674	1848	1033	1023	2113	781	223	1209	194	862	50220	713	304	759	2310	305	678	1747	3380	605	686	29689	1666	685	2101	1969	2387	4547	1881	857	1364	480	1753	1413	191	609	1227	2415	305	778	2689	1870	392	323	36170	1974	514	3157	1108	919	1390	2158	1042	998	758	1130	1205	1415	429	1043	2220	1417	173	728	1345	1599	911	724	2581	911	1272	1223	2019	1193	1464	6895	235	1649	976	1495	1246	1024	288	199	354	1048	23802	2451	439	1500	419	545	1900	524	1297	2416	884	1368	82137	515	1368	183	453	677	1906	1489	1284	402	156	1272	4129	232	3153	910	4	64656	1222	250	561	603	1333	37994	3420	1284	740	1382	1615	552	2367	367	1657	826	1255	1339	191	1867	2131	3111	534	997	1514	31554	1376	194
arachidic acid	4219	2214	2754	4496	2577	4494	3292	2867	3526	3813	846	2426	4109	5713	3609	4720	3784	2966	2728	938	6450	3671	6979	3547	1101	3322	2499	5533	3191	3035	871	2844	2117	5427	2244	2814	2476	4765	1606	3688	2661	2227	2841	1963	2706	5033	2184	5781	2507	4040	5653	4750	4033	3130	3716	1718	2390	4499	2382	4169	3895	4403	2629	3018	2846	4392	3642	1716	4173	2738	3846	4109	2135	3604	3874	2108	2484	2956	3392	3924	3530	3085	4322	11103	2827	4189	3696	3325	4739	3295	3563	2693	4037	4925	2580	1599	2535	5138	4377	4113	3216	2112	4137	2132	2661	2534	5633	2534	2159	3579	4291	4449	4495	1812	3671	5026	2348	2402	5026	5517	1699	3680	4410	1941	4629	2993	6114	3186	5653	2027	4161	1843	2096	4255	4331	3159	2536	3345	6708	2545	1992	3486	5070	2681	2866	4753	2704	2543	2612	3580	2958	1913	3764	4333	3074	2546	1732	2892	4652	2404	5298	3493	4042	3546	2635	2111	5077	3125	3516	2487	2232	4915	3091	3341	5190	2723	2164	3796	3593	4867	4436	2589	2188	4556	4318	2331	2948	4177	2214	1867	4310	4439	2645	6044	4285	6389	2239	4885	3750	3437	3729	4160	2273	2235	2348	5102	4571	4162	3493	2068	4834	2232	2396	1994	437	3304	2684	24322	2865	3253
aminomalonate	16599	2125	10262	2566	2080	550	7919	1635	1429	474	1135	1445	1672	585	2314	7799	3639	8769	2149	3030	526	1954	512	537	1518	5397	3306	541	3510	14127	11347	1999	2381	503	3823	4102	1372	12343	1940	2500	1388	7828	1453	486	21158	6771	2867	3361	421	1850	488	2180	15948	498	2860	2041	11797	1789	2034	1620	3923	533	2333	1971	1331	1288	1361	2325	3710	1378	4108	3229	3392	61933	504	1568	3176	960	11767	5795	13411	6714	1587	3010	1698	2662	3298	7946	3649	5925	6260	477	1095	6920	2785	873	3289	1686	3749	1145	1450	7990	2481	12650	3280	13975	545	1708	2008	459	6471	1676	530	1921	9005	2838	3364	1783	2373	4518	14227	10750	4002	5222	4872	6814	535	2082	582	20091	3240	2677	1848	4039	3820	4932	2987	3214	3098	495	2512	8547	500	1418	1478	2511	3454	1604	1101	5070	1542	1813	3656	1735	10613	5595	3747	535	1440	1590	7896	25876	16233	8090	2234	2013	3678	1610	2137	4992	33459	603	11890	1431	1429	445	1390	519	1986	558	455	33260	4216	104330	341504	7079	3066	1998	2698	2220	526	3657	2093	3838	4646	654	1820	3826	491	5587	56747	3916	3208	7094	1072	3380	546	4131	34461	2577	1729	3873	1094	2245	6393	4273	4315	6093	3824	492
alpha-ketoglutarate	3282	2521	4255	2797	2012	1032	960	4673	4940	6483	2335	1605	3566	2092	3233	4172	2911	4471	2449	991	3997	4147	4360	4353	3799	3719	3698	4847	2920	2937	4378	6458	1061	7113	1023	2607	1734	3068	4189	2360	2912	3380	2282	3437	3820	3275	1732	2366	1167	3558	4064	3065	3027	8222	3469	328	2073	4180	1513	2551	2342	3284	2569	4258	5052	2783	8770	2677	4366	438	5375	3096	2475	4593	4268	6546	2839	3178	2416	3286	4877	4791	2742	6714	4946	6218	2344	784	3497	886	4061	6149	1087	7828	4409	4045	2742	5001	1264	2193	4331	2437	1865	2390	2182	6427	3197	2152	922	2398	1703	3530	2635	1584	3557	1408	4991	3324	4617	3086	2836	3079	2528	5587	5134	4141	5894	2718	2304	4718	2577	2407	1374	5518	1769	5671	1942	2398	2076	3210	2820	5604	1835	2667	4495	3720	5339	5943	1556	2315	2121	6739	3947	5892	2737	2942	7328	2732	4942	1671	5870	3497	1814	6880	2479	2435	1722	7340	5411	2117	1612	1506	2267	4514	7704	3644	4572	3861	4110	1451	2648	7892	6231	972	4303	2419	4223	4107	7059	2719	7816	5747	2446	2508	4017	4666	6435	3424	1587	2063	5688	5995	2880	7096	3734	5982	4362	9593	4438	1764	6212	920	2230	4788	4764	2653	3705	1950	1675	2162
alpha-aminoadipic acid	806	1052	711	1873	1327	642	699	1078	1502	814	853	1005	974	838	2702	1165	960	680	477	1038	607	312	1062	677	1227	1605	892	1373	793	877	1495	1911	1400	319	1152	561	1023	1266	1437	1162	390	930	1105	1034	1290	1727	995	1766	783	1728	1099	585	1401	923	990	1155	706	1061	800	1253	730	869	1170	713	1359	961	1460	764	719	1197	1464	528	987	827	1227	1508	916	1277	935	942	970	1468	884	719	1044	2094	1402	904	1026	774	1604	547	331	1295	643	833	957	1285	970	1383	712	1081	746	505	959	887	898	923	1236	699	697	1053	1518	2102	662	2126	974	2377	833	982	437	1023	256	1425	1383	619	389	908	1165	1576	1450	1119	1047	512	1174	929	773	544	511	738	1619	1152	1447	1038	1112	733	931	1241	1213	795	1240	988	949	1631	751	641	448	1284	912	509	643	604	499	827	1068	1138	1256	1485	1838	580	940	1366	167	1697	1085	676	1194	712	849	442	803	1091	1727	760	286	1078	654	1231	387	684	185	1211	914	976	1072	548	980	1560	1335	1310	706	871	759	1065	1155	1230	925	961	337	1429	747	1318	1491	1534	822	1190	946	670	781	201
allantoic acid	1830	4637	1119	4240	4197	1352	1628	5109	1546	255	5037	3462	2395	531	2766	3061	178	924	3111	2945	432	3668	378	1534	798	1437	855	707	912	141	752	13196	7039	125	3341	2092	4252	1822	3420	1805	2141	680	6590	305	342	3145	3620	881	237	3069	636	4255	1140	432	1972	630	435	1177	2032	4302	1855	856	3441	3037	1977	3116	316	652	2787	2990	4453	1963	1136	381	1648	2803	886	4119	233	650	1527	2705	228	326	1880	7519	4070	1256	955	215	4691	691	4885	464	589	1596	1559	2683	1793	3519	4387	891	3278	1111	2851	310	445	1235	2095	125	441	2619	769	7592	533	4146	1049	7452	396	3750	957	738	2961	2763	1875	483	262	1326	936	984	3753	1656	1110	1186	2999	515	3242	286	399	447	1626	474	1287	4087	3803	4274	4913	1267	2583	286	4763	3821	3114	2679	945	1461	2036	1441	2852	1594	566	2034	195	2222	5065	1754	3032	2965	6046	980	1151	1599	1149	4245	702	290	1286	285	2924	348	573	2843	5525	397	183	1419	1470	1552	1507	3306	396	3968	2810	815	4072	181	3139	5110	815	1173	424	4442	3631	1851	536	3241	536	4129	412	3314	1130	3667	7775	4731	1136	2018	821	1122	935	140
alanine	767383	891885	939037	995498	905601	938005	865405	1286715	706775	562641	1189987	1306287	1180311	1131637	1140146	1031841	1036110	948128	791524	1020986	495396	1023276	679034	621593	1188226	872277	1083470	785486	1131930	1126284	932156	1082896	1110066	893341	1049348	749392	1392003	1128310	1183146	1085700	742571	1017427	1373391	836295	789321	1126149	1084292	670344	943257	728742	718978	899314	791289	844322	916265	918510	731948	1032514	1085887	804652	1299980	636636	1087289	977249	1073240	1026830	943367	772083	966884	973115	1065374	1237348	1007832	927385	1052691	1211443	1227825	1113354	769075	900438	1073990	1036641	929362	1023401	973052	1100325	833933	890500	896830	994946	971147	814335	1012542	1328992	1144751	1235403	643078	1026334	992340	1136455	1003855	902788	1105542	1551645	1095732	1003279	913174	1210998	1030730	1010315	610993	813919	524923	1034666	1074735	1131296	1264534	1216025	1004266	981410	1189486	1106591	978385	1091172	989644	1029381	874130	980958	971169	891089	925062	1040663	937507	1236916	844133	950453	1115835	1176961	808785	862578	975726	975443	756312	1127135	1427829	905499	985945	916723	1148906	885467	942777	2083710	888472	911497	1158316	990441	985662	782945	785193	413811	901059	904305	817749	1245787	811904	812481	1038159	1025191	1098981	826255	816961	586490	1016630	852463	999675	1052542	1474620	917576	1010486	1015274	1072577	1007814	848688	889984	782277	832722	1451079	971706	1155185	890304	647921	887406	1057868	573500	912731	432839	931324	876002	1247220	1168965	646853	1219418	985149	1131328	1283709	1207684	943159	953395	761328	692219	1022679	919409	1267653	1434996	1144604	1317861	1025669	905318	1085222	741978
adenosine	353	5942	64	161	1520	738	153	428	277	319	162	119	474	388	359	174	136	370	137	237	172	6847	523	394	2577	127	85	431	66	94	75	166	179	46	146	92	64	138	49	893	411	41	136	115	257	162	193	244	250	633	153	1303	190	110	386	171	112	804	145	2	312	95	717	226	509	79	26	154	281	399	318	437	285	74	61	143	565	138	84	366	767	256	219	527	327	362	38	150	901	106	233	74	235	56	892	112	857	204	282	149	157	120	115	145	80	92	230	1940	213	176	165	27	86	205	131	270	232	196	520	331	1159	828	253	229	748	201	387	91	386	2922	317	207	230	27	343	199	374	144	127	156	226	429	115	191	1061	189	370	83	119	53	94	287	35	310	367	273	273	239	195	800	239	196	187	218	258	297	463	255	485	162	204	371	275	398	31	90	283	125	99	353	132	310	127	245	644	83	407	2940	339	183	56	244	412	76	94	71	856	306	302	1268	154	43	80	68	1289	14684	2022	9464	70	119	251	259	6502	146	295	3158	148	35	112	322
6-deoxyglucitol	2833	2482	3067	3260	1352	3988	2383	1408	2613	3000	965	2364	3373	4811	5715	3406	2369	3048	2502	2081	3760	3398	3913	3153	395	3448	2237	3730	2938	3294	3226	2761	3378	2924	2930	3093	2312	2935	2267	3308	3719	4178	2796	3500	3312	2240	1137	4350	2567	3430	3522	2318	3353	3850	2810	3092	3283	2633	2325	2540	2956	3639	2074	2581	2866	2867	3132	1855	3484	2842	2306	3186	2868	3058	2691	3788	2918	2623	1729	4382	2855	2678	4822	3180	3624	2461	2537	3064	2794	2772	3108	3271	2908	4868	2184	1870	3386	2813	3151	2053	3035	3125	2280	2589	2537	3086	4558	2825	3573	1768	2973	1629	4398	3125	2412	3175	2527	3252	3147	2264	1765	2680	1626	3355	1937	2988	1376	3353	2742	2660	2872	2765	2813	2409	2796	2566	2529	2695	3820	2339	3072	3113	1449	2048	2073	2031	1833	2302	2973	2529	2892	2115	40125	3814	2993	2298	2633	3007	1940	1017	3164	3627	3549	2881	2980	2315	982	2342	2021	2923	2945	3570	2580	2799	3442	2532	2626	3551	2364	3568	2443	2519	2741	2512	2645	3175	1936	2102	1921	2125	2359	2926	1527	1846	1712	2695	2405	2711	3219	2667	2572	2513	3008	3019	2729	3491	4120	2356	2498	2570	2967	2212	2222	2661	3046	3548	3608	2671	2608	1995
5-methoxytryptamine	1386	6359	7576	1530	1124	789	381	1513	677	449	7531	699	322	206	321	410	248	543	203	2587	555	11553	514	573	508	134	1117	261	894	156	448	462	886	81	403	1961	260	339	9625	1323	291	1613	2171	836	152	377	704	258	178	685	155	2431	412	207	719	657	135	1330	231	700	548	570	3243	654	1143	3147	452	1531	687	3267	729	561	185	435	1308	816	328	168	53	706	2936	220	188	383	455	1038	609	271	510	64	662	880	697	425	452	2370	1338	441	297	387	501	215	149	295	187	238	159	2008	407	96	322	472	312	2224	257	408	248	278	269	960	4199	1041	2216	445	378	174	225	124	228	795	2026	124	191	698	598	133	254	159	221	86	171	375	147	1037	842	3326	11607	1039	88	154	286	764	975	343	314	336	192	232	350	1925	149	450	145	326	758	567	700	438	574	292	112	409	450	599	309	97	342	64	2111	235	84	3185	158	155	138	178	382	1451	150	1129	93	969	545	286	460	92	1278	2516	161	586	37	2156	166	1512	3402	10548	405	7502	345	123	4260	152	4511	1976	2155	4414	285	833	509	2686
4-hydroxybutyric acid	7320	4447	5824	9428	6830	6342	2740	5475	9114	9856	6492	7342	9832	5873	8480	7348	11845	6661	8245	10030	6535	8045	6346	5587	5687	5878	6894	5321	5084	4216	5343	5795	7037	4772	7135	9534	5724	13034	5369	9416	11086	6630	3838	5124	5417	9728	7274	13680	7843	11579	5838	10326	8192	7199	7731	9843	818	8668	7663	10667	10340	7467	7570	9334	7822	8130	8940	5803	6804	9468	8112	8227	5045	9445	12302	6684	8792	4049	5402	9515	5718	8808	12881	11174	6782	9251	11891	5320	8651	7940	7661	6149	6862	8931	6567	6127	9836	9479	8830	7965	6746	8384	6618	6198	7233	6108	6124	7724	8958	5941	8773	11237	6296	4370	10821	10475	9196	5702	8900	10568	11388	6220	9265	6314	7727	9288	5243	8117	7561	6045	11167	6653	8849	12088	12108	8063	9080	10156	13186	8306	6531	7375	3617	9744	5946	13079	9576	4197	6228	7829	8094	3333	9742	7198	7188	7682	4185	11505	9401	5137	9810	8255	15061	7336	11379	9342	8858	7501	6490	10000	4028	8337	7639	8304	9907	5921	4790	3745	10266	4293	3029	6489	5551	12280	12674	5657	3861	9547	7963	6814	7250	12087	8382	11993	10488	3522	8522	9940	4811	7888	6534	9397	8873	9927	5154	9494	4738	7836	6773	4673	8177	8049	4749	6469	8345	6809	6352	9554	5356	10683
3-hydroxypropionic acid	5027	2861	2892	3573	2911	3063	3508	3483	3089	3549	2611	2962	4080	4606	3926	5160	4597	2843	3371	3737	4954	2714	3477	3072	5056	2949	2824	3586	3459	3578	2914	3105	2511	3659	2710	2557	2256	4732	2437	4329	3723	2710	3058	4057	3015	3781	2775	4273	3359	5691	1903	3323	3119	3213	3073	3929	3168	3558	2687	3322	3742	3287	2813	3884	3197	3374	2995	3365	4139	3151	2991	3081	3240	3198	4775	2927	3255	2517	2881	3948	3528	3421	3839	3438	1696	3387	2767	2934	3146	3904	3121	2972	3289	5683	3348	3457	1563	3518	4018	3114	3135	2736	2888	3064	3497	2650	3258	2986	3139	4455	4575	2681	3440	2893	4180	3868	3059	3197	2887	4092	5894	3939	4390	2919	3087	2663	3666	3973	4239	3079	4260	2308	3040	3959	5468	4099	4318	3754	4037	3763	2894	3462	3588	3215	2542	4170	3647	3223	2804	4188	4223	2620	4522	4026	3215	2536	3675	4323	3810	2258	4240	4120	4532	4159	4352	2569	3478	3483	3897	3253	3028	3453	2819	3583	4442	2703	2530	2926	3833	3860	2962	3933	2783	3527	5432	3129	2839	3079	3355	2788	4655	3916	3127	3428	4480	3991	2585	4238	2828	4188	3983	3896	3708	3993	2483	4422	3261	3237	2933	3147	2603	3941	2833	2186	4737	3489	2403	4106	3735	5474
3-hydroxybutyric acid	85012	124665	135861	7601	41458	119493	124464	112710	222620	138592	89782	66612	59800	29227	59183	40242	64401	41900	115551	80532	69843	74806	56036	97195	63562	61821	101908	73775	82488	79435	62237	78781	111665	56526	67179	287099	85043	77081	96482	8767	68918	55991	54690	44812	51140	33496	117542	64319	61931	70634	46745	7540	100405	136136	41873	67409	83854	80572	89684	93398	86342	103937	192963	126708	111446	89496	76876	52712	61056	79143	107356	142162	147680	95566	5852	70059	278424	97530	49825	192185	57467	87185	69611	92272	88400	52165	98049	81391	49071	68063	241133	82719	125816	84742	106403	59176	77660	79814	48183	66274	53637	84089	190516	38098	49271	46280	54398	89154	88691	50079	130733	100752	56693	87638	58264	86387	82998	62496	101422	90325	67912	65954	8064	61895	45579	77773	69778	13947	52661	74997	49912	85136	57855	90976	60750	87974	48429	88346	126213	59991	67257	94077	93850	132057	84426	246713	122927	11801	76270	101199	67488	43282	90128	87159	69564	66359	54714	63785	12935	4758	60799	34415	41161	76961	91961	109588	59466	52907	97953	153344	199967	132280	50994	61339	95314	74925	72627	32952	86743	45333	53322	55663	80777	56336	132840	61571	73278	69234	47154	93401	127355	96521	89379	236752	12369	110326	82382	68726	98955	34682	71057	128097	116627	90957	79599	71902	105598	115961	103013	125589	73672	208616	87949	61132	54027	65939	88624	49667	106712	36230
3-aminoisobutyric acid	499	905	1015	226	292	1154	488	1143	366	710	610	675	815	751	1302	1039	604	845	590	496	822	511	634	856	487	676	812	889	579	525	607	1299	511	263	962	631	490	1936	478	231	548	936	891	716	1005	1298	1130	501	398	1706	353	1222	660	49	932	517	389	378	579	628	921	1095	803	1107	203	476	298	678	649	685	1117	857	722	743	599	795	1001	604	833	859	700	827	400	273	413	523	382	668	758	299	1352	903	794	537	389	369	1310	709	611	1023	415	1327	385	480	584	744	629	504	466	318	379	468	799	810	310	583	579	644	516	1448	471	705	720	818	1013	665	1266	556	972	476	694	423	716	463	1087	450	1170	236	363	732	1331	497	523	576	331	1209	867	481	936	466	907	683	1264	569	982	812	963	662	395	1151	632	1081	561	1129	1579	585	436	708	881	347	1589	1571	404	558	585	266	654	1065	1235	1035	998	632	946	420	1348	760	686	893	63	469	338	450	239	880	1167	1499	467	1569	1101	411	979	826	844	858	918	1216	1320	1335	917	584	770	867	333	970	604	965	553	793	349	462
3,6-anhydro-D-galactose	2350	625	928	2032	2749	2273	2030	2123	3514	2015	1604	2446	1642	1614	1968	2572	2025	2395	1712	2531	2506	1518	2173	1938	895	798	893	1439	2000	1903	1753	2504	2191	839	2629	2612	1792	656	714	3058	1892	750	2169	1490	1679	1043	933	3172	1471	3037	1744	1137	1570	1111	1893	2050	1866	1970	2286	3247	3791	1579	1330	953	2515	2913	1991	2175	2009	2007	929	1547	1522	1272	2050	2587	2364	1397	540	993	699	943	2603	1907	2039	1140	2549	2164	979	1130	1160	2131	3419	2007	3009	2418	2090	2983	1916	1901	2110	792	1078	969	852	869	1481	1835	2752	1877	3026	2105	2705	2201	686	1909	1942	2246	1696	959	1277	1330	996	1158	2013	4930	982	816	6671	1593	1938	1235	993	1178	2093	1965	1925	2572	2850	1812	1299	1237	1763	3076	1187	905	989	1791	2350	2226	1818	1676	3305	2961	680	1882	975	2064	2809	539	2131	10109	2345	2133	3263	1629	3233	1219	2585	2167	780	2689	2323	3219	3299	1400	1474	786	2881	1861	890	948	1051	891	1073	755	826	2411	1855	1917	1022	1555	1877	1169	928	1169	2617	1552	812	915	649	1069	2126	1006	721	1239	674	695	569	2117	876	1852	1814	625	1599	2562	2198	1550	2497	238
3-(3-hydroxyphenyl)propionic acid	1707	1480	3260	982	560	439	516	405	1280	471	457	528	673	387	823	988	567	533	927	550	571	757	584	557	3150	6887	5644	646	497	496	463	613	394	3910	1329	1387	314	8410	6334	323	421	432	513	534	406	556	5707	626	431	875	3225	747	880	658	657	1086	811	510	908	1393	795	827	2799	877	1521	1227	1784	672	551	527	502	4714	518	629	748	752	574	1174	322	8125	506	755	788	688	863	732	430	905	1245	683	1039	837	920	1814	671	1263	637	593	450	867	907	375	323	608	838	4345	822	832	871	344	434	918	984	550	785	1507	422	492	1147	9669	6643	1875	7990	244	680	458	700	616	677	750	954	1343	824	748	648	755	524	868	1258	1668	511	779	641	2300	7145	7284	10167	1090	1892	1173	3030	499	1036	1234	522	536	406	603	743	397	533	299	535	396	576	880	520	343	595	687	466	517	489	607	1245	613	660	554	1445	654	1726	346	575	757	6281	562	558	429	729	424	610	1002	634	8035	1406	413	472	1086	429	584	526	885	441	1667	325	902	623	640	5944	691	688	659	843	309	388	525	599	1170	772	612
2-ketoisocaproic acid	13675	7609	16677	7619	6585	16718	11830	12945	20566	13591	6440	6657	16818	10556	10631	18732	19329	9843	16570	16498	13689	11883	13632	19798	10891	12930	14516	32799	5713	10279	9750	11760	10632	17409	7669	14036	8749	15091	5242	10131	9658	11628	8046	12587	9759	14784	13954	11915	10699	9118	7069	12871	17915	16133	11524	8999	9410	9802	14381	12100	13291	15414	13671	15273	16203	8560	9282	8813	11025	11787	10058	8513	9442	10171	10693	5535	14614	15870	8029	10406	7538	6625	15985	20657	10885	10171	7105	7665	10257	10456	13938	16150	8978	24932	15356	11598	16255	12837	17767	11372	11960	10586	12867	5897	11928	16763	22105	12478	11078	7739	15882	11546	14988	8338	16321	8425	19362	11265	9780	12878	8680	7773	10625	15572	22336	14557	12011	7935	19270	9307	5683	11099	9430	12946	9691	14322	6927	8323	14704	17863	3730	14257	15430	10043	11339	15905	7281	6760	5026	8947	7190	6435	8565	16810	10561	17164	18947	15175	11059	9254	21680	11759	12597	19436	7747	11321	9049	8004	12050	27539	16073	14938	9857	13982	5527	14545	4416	8720	22219	11057	11132	17620	11793	23841	16675	7177	7306	9503	7087	10474	18181	17506	10895	14016	11680	13811	13170	9010	7175	8291	9184	13299	13251	13797	7553	11636	17419	11213	11085	10720	7715	11758	6213	11517	17061	7439	7194	4351	8822	20463
2-hydroxyglutaric acid	1309	1741	838	1409	1238	1361	1301	1760	1975	558	907	917	1019	961	810	1187	1135	1597	1149	1085	1332	1286	1707	1740	1411	1424	698	1617	1588	1602	1876	2462	696	1833	1183	1339	878	836	1340	1391	1428	1175	1631	1080	1063	1415	728	2100	1175	2000	1333	1823	1298	1380	1364	1395	1569	1403	1315	2243	1176	1445	2018	1556	1883	2121	2090	1514	1334	1276	2430	1100	1643	1398	1306	1628	1993	2074	799	1370	733	2204	1698	2543	1755	1594	1908	824	1769	1386	2174	1038	1720	1685	1393	1496	1881	1538	1039	2032	2352	1211	1390	1064	1721	1150	1489	1011	1224	641	1639	1571	894	1595	511	1883	1699	669	1756	1500	951	940	1027	1461	1267	1840	1031	1257	924	472	962	2016	1293	1086	1864	926	1308	1624	1010	1138	1040	1577	996	1676	1112	1484	2130	1536	1523	1266	1611	2209	2113	1643	843	1249	1000	677	2766	821	1289	1402	1256	1703	1255	1685	1686	1536	2105	1760	1191	648	1275	2011	1583	757	1681	1219	1842	1351	1257	1325	1809	1393	1528	1748	2307	2024	1851	1170	1859	1561	1455	514	2246	1453	1686	2307	1052	1378	760	1319	1224	1102	1537	1701	731	1431	987	1637	1520	457	1226	1388	1385	1192	1644	1669	1508	779
2-hydroxybutanoic acid	52538	8335	50174	14091	8190	62828	34021	9160	8455	114481	21288	20929	21908	57805	17586	19150	50252	21124	23067	34787	115851	22611	47736	43304	290183	41719	27153	78131	18264	24384	23398	14932	9399	175200	17001	24709	3356	51217	23695	20874	9130	13497	14160	32804	18169	33161	14677	181271	34156	117036	41944	20415	73128	49263	24900	38409	22553	6575	19392	20934	46910	64141	20325	19028	30480	26825	29845	29416	24918	15251	13816	26415	23443	65667	1194601	16236	31236	8197	52449	20077	244246	19544	18419	28164	18941	15168	120841	35440	27794	41526	44898	111395	14787	39804	17621	12327	17970	20603	19148	22039	13668	38779	24872	22825	26195	24321	27867	15609	28819	45015	68688	23009	54126	15871	33693	323792	20290	27520	15707	42455	499062	31621	153476	16171	34732	17617	48825	46801	83683	63193	22604	25428	28058	242149	28030	47523	16489	28577	41185	37068	23373	45275	175705	25345	17194	56730	20633	25386	19341	35722	23486	20539	311140	44001	27630	23686	21525	97864	33508	4578873	26298	23349	29605	39783	26500	22258	29307	22324	31937	66857	53109	94397	31340	25774	16703	30184	17147	88146	26627	499776	19600	49800	25718	16371	2975	21917	17021	81187	11532	27305	824208	44217	19398	476726	22381	3498	18101	18450	44684	29654	55428	15507	20705	37494	20874	32431	79776	20627	39677	34714	14500	33094	11268	11267	45937	5767	25436	250760	28189	199167
2-deoxytetronic acid	1835	1445	380	736	1284	1380	1260	788	1605	1206	954	904	1398	838	2246	1379	1373	1166	1346	761	1040	1584	1543	1487	1329	1504	1240	2181	1278	1586	479	1712	1825	1695	1057	1496	1443	1611	1207	1385	1479	1399	1431	1705	1425	1294	1281	894	1472	1802	1812	2015	2051	1629	1667	1275	1267	1466	1407	1484	1414	1761	1413	1205	1690	1513	1204	1072	1189	1190	1750	1371	1339	1168	1385	1336	1330	1283	565	1919	1402	1783	1927	1823	1151	2018	1498	1475	878	683	1824	1499	1499	1863	1261	1147	374	1135	1379	1979	1806	1462	1384	1075	1556	1329	2137	1495	782	1325	2184	1972	1739	1381	1675	1926	1540	1841	1554	1861	1597	1197	1740	1084	1607	1983	1601	1417	1525	1190	1186	1194	1268	978	2166	1376	1679	1048	1787	1281	1138	1828	1722	1719	1162	1789	1274	987	1103	1045	1566	1001	1317	1597	1406	1105	1307	1753	2149	734	1770	144	1104	1762	2055	1216	1257	1655	997	1641	1465	1294	1518	1541	1430	1226	1216	1722	1400	1788	1035	1478	1785	1627	1689	1882	1308	1773	1052	846	1784	1006	1173	1531	1342	1609	816	1753	1285	1960	1035	1325	1117	1311	904	1922	1599	1864	1129	1287	1478	1521	1080	278	1587	1702	1104	1438	1361	1612
2-aminobutyric acid	32442	13158	18495	30004	16392	36047	22875	24240	23201	22042	17643	26023	29784	19977	23475	47671	21324	16148	27230	36387	14261	24765	14962	15159	20234	23703	24965	12474	47666	14326	20455	7295	22054	12074	20211	30027	12543	30368	18400	32127	18020	22506	28941	33495	24916	22556	21347	12368	26750	28171	19607	21824	54065	18340	74607	10980	19739	17323	20339	15023	43013	34572	31116	25635	49669	19725	13262	20695	22553	29040	10195	20380	19603	30674	36503	16170	25775	20446	13625	32100	18189	20308	13291	12812	29597	21942	18269	20017	22867	41556	56295	26961	29939	55728	20611	30037	16591	27835	30892	33048	28843	20518	34974	14588	37109	16296	14548	18945	30222	34480	31786	23717	27051	26165	32230	42933	20604	22220	11991	16793	32454	27280	18360	21295	52448	30987	19803	36287	19503	30982	33267	31804	31914	30849	31458	26583	22433	13425	20384	29936	26079	13865	22574	28568	25490	19158	24897	3666	21836	34756	31991	19043	38775	43349	32038	34450	20781	60331	13325	20325	15711	21896	10388	27043	14607	29755	37370	27984	47474	24152	21933	44935	26785	37832	11674	23703	16131	18336	32772	30892	23479	53112	23570	11753	28915	24918	20799	31244	18949	20038	14943	29816	16718	35183	13917	10199	17353	34052	31026	34711	11642	28997	21906	35641	32948	33754	21008	9255	34268	29006	8191	21057	26498	15361	13842	12827	47529	28569	31658	61822
1,3,5-trimethylcyanuric acid	38218	29971	36340	41144	35636	40972	45330	42140	42830	41592	21884	31713	40168	46615	47775	41386	33677	38441	39342	41940	51760	34681	45104	46176	41601	43794	33221	46516	29503	30280	39139	42565	37164	39856	35345	40597	27717	44799	27013	41259	33693	34114	38531	41170	36666	43518	39277	55369	37532	43839	45656	43781	44258	39345	28475	38010	37618	38975	38575	42193	40503	48677	41368	38520	35263	36034	33969	36015	36192	35725	43806	39314	36177	37810	44397	30419	45909	39292	34965	44773	36216	39578	45969	42228	32104	40376	43532	40163	40388	40595	38907	38142	40404	48307	42370	38639	42952	37836	38581	43040	43080	34952	39626	33193	39171	32576	48145	39167	35298	30734	53487	44288	45877	37730	43266	47345	43033	46366	42495	51897	49756	34252	46255	36936	38013	35979	46848	37371	40912	37421	36921	37464	36541	43582	46338	38717	46229	39466	49646	45233	41837	42732	45224	43500	32826	53807	37020	34587	37623	39817	41072	29592	42449	39069	44689	38339	34086	45391	43970	22325	39551	39530	42632	41432	48968	35013	40467	38166	39457	46662	24029	51295	37461	41518	45369	36880	32659	46078	38690	54029	42165	37813	34366	41345	52618	33591	40132	40876	35903	33232	46890	45409	35129	49521	43644	58070	36107	49012	41412	43126	40629	35658	38666	42585	34852	43719	45947	42534	33927	39130	34819	38696	36614	34001	40801	47313	31493	37117	34595	48060
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	m/z	binbase id	PubChem ID	KEGG ID	InChI Key
xylulose NIST	553450	173	31632	439205	C00312	LQXVFWRQNMEDEE-PYHARJCCSA-N
xylose	543267	103	169	135191	C00181	SRBFZHDQGSBBOR-IOVATXLUSA-N
xylitol	567437	217	5857	6912	C00379	HEBKCHPVOIAQTA-NGQZWQHPSA-N
valine	313502	144	3	6287	C00183	KZSNJWFQEVHDMF-BYPYZUCNSA-N
uridine	861508	217	14815	6029	C00299	DRTQHJPVMGBUCF-XVFCMESISA-N
uric acid	731038	441	33210	1175	C00366	LEHOTFFKMJEONL-UHFFFAOYSA-N
urea	329351	189	145496	1176	C00086	XSQUKJJJFZCRTK-UHFFFAOYSA-N
uracil	385735	241	1664	1174	C00106	ISAKRJDGNUQOIC-UHFFFAOYSA-N
tyrosine	671252	218	16	6057	C00082	OUYCCCASQSFEME-QMMMGPOBSA-N
tryptophan	780482	202	14	6305	C00078	QIVBCDIJIAJPQS-VIFPVBQESA-N
trans-4-hydroxyproline	484934	140	97	5810	C01157	PMMYEEVYMWASQN-DMTCNVIQSA-N
thymine	420133	255	1692	1135	C00178	RWQNBRDOKXIBIV-UHFFFAOYSA-N
thymidine	349402	170	87703	5789	C00214	IQFYYKKMVGJFEH-XLPZGREQSA-N
threonine	409568	218	26	6288	C00188	AYFVYJQAPQTCCC-GBXIJSLDSA-N
threonic acid	497572	292	172	5460407	C01620	JPIJQSOTBSSVTP-STHAYSLISA-N
taurine	556690	326	411	1123	C00245	XOAAWQZATWQOTB-UHFFFAOYSA-N
sulfuric acid	282411	227	12266	1118	C00059	QAOWNCQODCNURD-UHFFFAOYSA-N
sucrose	915139	271	173	5988	C00089	CZMRCDWAGMRECN-UGDNZRGBSA-N
succinic acid	370608	247	161	1110	C00042	KDYFGRWQOYBRFD-UHFFFAOYSA-N
stearic acid	787622	117	13	5281	C01530	QIQXTHQIDYTFRH-UHFFFAOYSA-N
serine	395020	218	25	5951	C00065	MTCFGRXMJLQNBG-REOHCLBHSA-N
saccharic acid	699211	333	11214	33037	C00818	DSLZVSRJTYRBFB-LLEIAEIESA-N
ribose	553135	217	1662	5779	C00121	HMFHBZSHGGEWLO-SOOFDHNKSA-N
ribonic acid	599680	292	1683	5460677	C01685	QXKAIJAYHKCRRA-BXXZVTAOSA-N
ribitol	575497	217	7362	827	C00474	HEBKCHPVOIAQTA-ZXFHETKHSA-N
raffinose	1120886	361	3190	439242	C00492	MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
pyruvic acid	211003	174	66	1060	C00022	LCTONWCANYUPML-UHFFFAOYSA-N
pseudo uridine	813899	217	1688	15047	C02067	PTJWIQPHWPFNBW-GBNDHIKLSA-N
proline	364523	142	171970	145742	C00148	ONIBWKKTOPOVIA-BYPYZUCNSA-N
pinitol	622466	260	16544	164619	C03844	DSCFFEYYQKSRSV-FEPQRWDDSA-N
pimelic acid	523205	155	33429	385	C02656	WLJVNTCWHIRURA-UHFFFAOYSA-N
phosphate	345365	314	4	1004	C00009	NBIIXXVUZAFLBC-UHFFFAOYSA-N
phenylethylamine	510327	174	2005	1001	C05332	BHHGXPLMPWCGHP-UHFFFAOYSA-N
phenylalanine	537804	218	33	6140	C00079	COLNVLDHVKWLRT-QMMMGPOBSA-N
phenol	218927	151	31889	996	C00146	ISWSIDIOOBJBQZ-UHFFFAOYSA-N
pelargonic acid	399229	117	50	8158	C01601	FBUKVWPVBMHYJY-UHFFFAOYSA-N
pantothenic acid	690887	291	31356	6613	C12276	GHOKWGTUZJEAQD-ZETCQYMHSA-N
palmitoleic acid	706508	311	96	445638	C08362	SECPZKHBENQXJG-FPLPWBNLSA-N
palmitic acid	713809	313	11	985	C00249	IPCSVZSSVZVIGE-UHFFFAOYSA-N
oxoproline	485935	156	10	7405	C01879	ODHCTXKNWHHXJC-VKHMYHEASA-N
oxalic acid	260513	190	4923	971	C00209	MUBZPKHOEPUJKR-UHFFFAOYSA-N
ornithine	527113	142	1821	6262	C00077	AHLPHDHHMVZTML-BYPYZUCNSA-N
oleic acid	779120	339	43	445639	C00712	ZQPPMHVWECSIRJ-KTKRTIGZSA-N
octadecanol	755409	327	997	8221		GLDOVTGHNKAZLK-UHFFFAOYSA-N
myristic acid	634414	285	127	11005	C06424	TUNFSRHWOTWDNC-UHFFFAOYSA-N
myo-inositol	730022	305	1741	892	C00137	CDAISMWEOUEBRE-UHFFFAOYSA-N
methionine sulfoxide	637588	128	1678	158980	C02989	QEFRNWWLZKMPFJ-YGVKFDHGSA-N
methionine	483560	176	45	6137	C00073	FFEARJCKVFRZRR-BYPYZUCNSA-N
mannose	645856	205	70	18950	C00159	WQZGKKKJIJFFOK-QTVWNMPRSA-N
maltose	946601	204	1979	439186	C00208	GUBGYTABKSRVRQ-PICCSMPSSA-N
malic acid	463180	233	1391	525	C00711	BJEPYKJPYRNKOW-UHFFFAOYSA-N
lyxose	541086	217	85112	439240	C00476	SRBFZHDQGSBBOR-AGQMPKSLSA-N
lyxitol	573587	217	233	439255	C00532	HEBKCHPVOIAQTA-IMJSIDKUSA-N
lysine	663483	156	12	5962	C00047	KDXKERNSBIXSRK-YFKPBYRVSA-N
linoleic acid	777414	150	165	5280450	C01595	OYHQOLUKZRVURQ-HZJYTTRNSA-N
leucine	346101	158	9	6106	C00123	ROHFNLRQFUQHCH-YFKPBYRVSA-N
lauric acid	547906	117	49	3893	C02679	POULHZVOKOAJMA-UHFFFAOYSA-N
lactic acid	217657	191	80	612	C01432	JVTAAEKCZFNVCJ-UHFFFAOYSA-N
lactamide	265698	232	415	94220		SXQFCVDSOLSHOQ-UHFFFAOYSA-N
isothreonic acid	489385	292	1679	151152	C00639	JPIJQSOTBSSVTP-GBXIJSLDSA-N
isoleucine	359251	158	15	6306	C00407	AGPKZVBTJJNPAG-WHFBIAKZSA-N
isohexonic acid	698302	333	100866	604		RGHNJXZEOKUKBD-UHFFFAOYSA-N
isocitric acid	617338	245	32122	5318532	C00451	ODBLHEXUDAPZAU-ZAFYKAAXSA-N
inosine	897434	230	84524	6021	C00294	UGQMRVRMYYASKQ-KQYNXXCUSA-N
indoxyl sulfate	577333	277	31543	10258		BXFFHSIDQOFMLE-UHFFFAOYSA-N
indole-3-propionic acid	732249	202	112556	3744		GOLXRNDWAUTYKT-UHFFFAOYSA-N
indole-3-lactate	764586	202	724	92904	C02043	XGILAAMKEQUXLS-UHFFFAOYSA-N
indole-3-acetate	684929	202	69	802	C00954	SEOVTRFCIGRIMH-UHFFFAOYSA-N
hydroxylamine	255241	146	139	787	C00192	AVXURJPOCDRRFD-UHFFFAOYSA-N
hydroxycarbamate NIST	325318	278	130396	16639161		DRAJWRKLRBNJRQ-UHFFFAOYSA-M
hydrocinnamic acid	434422	104	114270	107	C05629	XMIIGOLPHOKFCH-UHFFFAOYSA-N
hippuric acid	636836	206	33211	464	C01586	QIAFMBKCNZACKA-UHFFFAOYSA-N
hexuronic acid	667373	160	4554	152867		IAJILQKETJEXLJ-UHFFFAOYSA-N
hexose	642640	319	20287	206	C00738	WQZGKKKJIJFFOK-UHFFFAOYSA-N
hexitol	704741	217	255	453	C00392	FBPFZTCFMRRESA-UHFFFAOYSA-N
hexadecane	525964	85	120765	11006		DCAYPVUWAIABOU-UHFFFAOYSA-N
heptadecanoic acid	751309	117	727	10465		KEMQGTRYUADPNZ-UHFFFAOYSA-N
glycolic acid	227636	177	1971	757	C00160	AEMRFAOFKBGASW-UHFFFAOYSA-N
glycine	368707	248	6	750	C00037	DHMQDGOQFOQNFH-UHFFFAOYSA-N
glycerol-alpha-phosphate	590747	357	1687	754	C03189	AWUCVROLDVIAJX-UHFFFAOYSA-N
glycerol-3-galactoside	805227	204	1693	16048618	C05401	NHJUPBDCSOGIKX-NTXXKDEISA-N
glycerol	344466	205	30	753	C00116	PEDCQBHIVMGVHV-UHFFFAOYSA-N
glyceric acid	377495	189	48	439194	C00258	RBNPOMFGQQGHHO-UWTATZPHSA-N
glutamine	600000	156	171972	5961	C00064	ZDXPYRJPNDTMRX-VKHMYHEASA-N
glutamic acid	527086	246	16576	33032	C00025	WHUUTDBJXJRKMK-VKHMYHEASA-N
glucose-1-phosphate	594647	217	3167	65533	C00103	HXXFSFRBOHSIMQ-VFUOTHLCSA-N
glucose	675179	217	71	64689	C00221	WQZGKKKJIJFFOK-VFUOTHLCSA-N
fumaric acid	390016	245	14755	444972	C00122	VZCYOOQTPOCHFL-OWOJBTEDSA-N
fucose	578299	160	3009	439650	C02095	SHZGCJCMOBCMKK-FPRJBGLDSA-N
fructose	639442	307	21	439709	C02336	RFSUNEUAIZKAJO-ARQDHWQXSA-N
ethanolamine	344719	174	3212	700	C00189	HZAXFHJVJLSVMW-UHFFFAOYSA-N
erythritol	471922	217	92	222285	C00503	UNXHWFMMPAWVPI-ZXZARUISSA-N
dodecanol	507619	243	12092	8193	C02277	LQZZUXJYWNFBMV-UHFFFAOYSA-N
D-erythro-sphingosine	859500	204	126903	5280335	C00319	WWUZIQQURGPMPG-KRWOKUGFSA-N
cystine	804619	218	94	595	C01420	LEVWYRKDKASIDU-UHFFFAOYSA-N
cysteine	500158	220	65	5862	C00097	XUJNEKJLAYXESH-REOHCLBHSA-N
creatinine	502599	115	31	588	C00791	DDRJAANPRJIHGJ-UHFFFAOYSA-N
conduritol-beta-epoxide	675635	318	2670	9989541		ZHMWOVGZCINIHW-SPHYCDKFSA-N
citrulline	621404	157	1712	9750	C00327	RHGKLRLOHDJJDR-BYPYZUCNSA-N
citric acid	617342	273	288	311	C00158	KRKNYBCHXYNGOX-UHFFFAOYSA-N
catechol	376695	254	31654	289	C00090	YCIMNLLNPGFGHC-UHFFFAOYSA-N
caprylic acid	343457	201	6866	379	C06423	WWZKQHOCKIZLMA-UHFFFAOYSA-N
capric acid	452386	229	50422	2969	C01571	GHVNFZFCNZKVNT-UHFFFAOYSA-N
beta-alanine	435564	248	148	239	C00099	UCMIRNVEIXFBKS-UHFFFAOYSA-N
benzoic acid	339067	179	36	243	C00180	WPYMKLBDIGXBTP-UHFFFAOYSA-N
aspartic acid	480387	232	79	5960	C00049	CKLJMWTZIZZHCS-REOHCLBHSA-N
asparagine	553078	188	146	6267	C00152	DCXYFEDJOCDNAF-REOHCLBHSA-N
arachidic acid	856421	117	291	10467	C06425	VKOBVWXKNCXXDE-UHFFFAOYSA-N
aminomalonate	455754	218	413	100714	C00872	JINBYESILADKFW-UHFFFAOYSA-N
alpha-ketoglutarate	507392	198	294	51	C00026	KPGXRSRHYNQIFN-UHFFFAOYSA-N
alpha-aminoadipic acid	573295	260	125502	92136	C00956	OYIFNHCXNCRBQI-BYPYZUCNSA-N
allantoic acid	723539	259	33396	203	C00499	NUCLJNSWZCHRKL-UHFFFAOYSA-N
alanine	243971	116	34178	5950	C00041	QNAYBMKLOCPYGJ-REOHCLBHSA-N
adenosine	918039	236	290	60961	C00212	OIRDTQYFTABQOQ-KQYNXXCUSA-N
6-deoxyglucitol	599776	117	92567	151266		SKCKOFZKJLZSFA-JGWLITMVSA-N
5-methoxytryptamine	864466	174	284	1833	C05659	JTEJPPKMYBDEMY-UHFFFAOYSA-N
4-hydroxybutyric acid	325027	233	85123	10413	C00989	SJZRECIVHVDYJC-UHFFFAOYSA-N
3-hydroxypropionic acid	269265	177	1977	68152	C01013	ALRHLSYJTWAHJZ-UHFFFAOYSA-N
3-hydroxybutyric acid	278829	191	46	92135	C01089	WHBMMWSBFZVSSR-GSVOUGTGSA-N
3-aminoisobutyric acid	452655	248	12265	64956	C05145	QCHPKSFMDHPSNR-UHFFFAOYSA-N
3,6-anhydro-D-galactose	588886	231	102714	16069996	C06474	WZYRMLAWNVOIEX-BGPJRJDNSA-N
3-(3-hydroxyphenyl)propionic acid	583925	192	49497	91	C11457	QVWAEZJXDYOKEH-UHFFFAOYSA-N
2-ketoisocaproic acid	310761	89	208	70	C00233	BKAJNAXTPSGJCU-UHFFFAOYSA-N
2-hydroxyglutaric acid	506306	247	2000	43	C02630	HWXBTNAVRSUOJR-UHFFFAOYSA-N
2-hydroxybutanoic acid	258161	131	40	440864	C05984	AFENDNXGAFYKQO-VKHMYHEASA-N
2-deoxytetronic acid	433456	189	1208	150929		DZAIOXUZHHTJKN-UHFFFAOYSA-N
2-aminobutyric acid	285825	130	160842	6657	C02721	QWCKQJZIFLGMSD-UHFFFAOYSA-N
1,3,5-trimethylcyanuric acid	416269	171	125664			AHWDQDMGFXRVFB-UHFFFAOYSA-N
METABOLITES_END
#END