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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,2-dipalmitoylglycerolDG 16:0_16:0ME42861799931-2600-
1,2-propanediol1,2-PropanediolME428618-C005831041-
1,3-dipalmitoylglycerolDG 16:0_16:0ME42861968149-2637-
13-methylmyristic acidIsopentadecylic acidME428623151014-1833-
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME428620-C073261788.7-
1-methylhistidine1-MethylhistidineME428621-C011521757.7-
1-stearoylglycerol (18:0)MG 18:0/0:0/0:0ME42862224699D019472186.6-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME428624677C040391422-
2-(4-hydroxyphenyl)propionate4-Hydroxyphenyl-2-propionic acidME428625102526C030801635-
2-aminobutyrate2-Aminobutyric acidME428626-C022611537.5-
2-hydroxyadipate2-Hydroxyadipic acidME428627193530C023601653-
2-hydroxybutyrate (AHB)2-Hydroxybutyric acidME428628440864C059841169.4-
2-hydroxyglutarate2-Hydroxyglutaric acidME42862943C026301576-
2-hydroxyisobutyrate2-Hydroxyisobutyric acidME42863011671-1107.5-
2-oxoadipateOxoadipic acidME42863171C003221676-
2-palmitoylglycerol (16:0)MG 0:0/16:0/0:0ME428632123409-2108-
3-(4-hydroxyphenyl)propionateDesaminotyrosineME42863310394C017441727.9-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME428634441C010891203.5-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME42863511966314C060011205-
3-phosphoglycerate3-Phosphoglyceric acidME428636-C005971754-
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME4286374693933C006421630.6-
5,6-dihydrouracilDihydrouracilME428638649C004291505.2-
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME4286391826C056351983.2-
5-hydroxymethyl-2-furoic acidSumiki's acidME42864080642-1559.1-
5-ketogluconate-ME4286415460352C010621841.1-
7-beta-hydroxycholesterol7beta-HydroxycholesterolME428642473141C035942340-
adipateAdipic acidME428643196C061041520-
alanylalanineAla-AlaME428644-C009931379.5-
allantoinAllantoinME428645204C023501809.8-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME42864699823-1208-
alpha-ketoglutarate2-Oxoglutaric acidME42864751C000261779-
alpha-tocopherolalpha-TocopherolME42864814985C024772305.4-
arachidate (20:0)Arachidic acidME42864910467C064252071.2-
ascorbate (Vitamin C)Vitamin CME428650-C000721850.1-
asparagineAsparagineME428651-C001521854-
aspartateAspartic acidME4286525960C000491763.1-
benzoateBenzoic acidME428653243C001801291.5-
beta-alaninebeta-AlanineME428654-C000991582.3-
beta-hydroxypyruvateHydroxypyruvic acidME428655964C001681425.1-
beta-sitosterolSitosterolME428656222284C017532380.8-
campesterolCampesterolME428657173183C017892353-
chiro-inositol1D-chiro-InositolME428658--1857-
cholesterolCholesterolME4286596432564C001872316.9-
citrateCitric acidME428661311C001581763.4-
dihydrocholesterolDihydrocholesterolME4286626665-2320.8-
dimethylglycineDimethylglycineME428663-C010261030-
erythritolErythritolME428664-C005031517.5-
erythronate*Erythronic acidME4286652781043-1546.9-
fructoseFructoseME4286665984C000951758-
fucoseFucoseME4286673034656C020951682.2-
fumarateFumaric acidME428668-C001221382.1-
gluconateGluconic acidME42866910690C002571879.4-
glucoseGlucoseME42867079025C000311866.8-
glutamateGlutamic acidME428671611C000251836.8-
glutarate (pentanedioate)Glutaric acidME4286724418048C004891433.6-
glycerateGlyceric acidME428673752C002581360.7-
glycerolGlycerolME428674753C001161311-
glycerol 2-phosphatesn-Glycero-2-phosphateME4286752526C029791691.8-
glycerol 3-phosphate (G3P)sn-Glycero-3-phosphateME428676754C000931719.7-
glycineGlycineME428677-C000371486.9-
glycolate (hydroxyacetate)Glycolic acidME428678-C001601119-
gulono-1,4-lactoneD-GulonolactoneME428679608C010401862-
homoserine (homoserine lactone)HomoserineME428680-C002631726.1-
hydroxyprolineHydroxyprolineME428721-C011571733.1-
indolelactateIndolelactic acidME42868192904C020431964.9-
inositol 1-phosphate (I1P)Inositol 3-phosphateME428682-C040062057.8-
Isobar: ribulose 5-phosphate, xylulose 5-phosphate-ME428683--1935-
isosorbide-ME42868412597D003471522-
lactateLactic acidME428685612C001861102.8-
lysineLysineME4286865962C000471910-
malateMalic acidME428687525C001491502-
mannitolMannitolME4286886251C003921839-
mannoseMannoseME428689161658C001591753.5-
myo-inositolMyo-inositolME428690-C001371924.9-
N-acetylaspartate (NAA)N-Acetylaspartic acidME42869165065C010421648.5-
N-acetylglycineN-AcetylglycineME42869210972-1396.4-
N-acetylneuraminateN-Acetylneuraminic acidME428693-C002702074.9-
N-acetylserineN-AcetylserineME42869465249-1526-
oleate (18:1n9)Oleic acidME428695445639C007121984.4-
ornithineOrnithineME4286966262C000771940.3-
orotateOrotic acidME428697967C002951709.6-
oxalate (ethanedioate)Oxalic acidME428698-C002091175.1-
palmitoyl sphingomyelinSM 18:1;O2/16:0ME4286999939941-2524-
pentadecanoate (15:0)Pentadecylic acidME42870013849C165371853.5-
phosphatePhosphoric acidME4287011061C000091307.7-
phosphoenolpyruvate (PEP)Phosphoenolpyruvic acidME4287021005C000741595.4-
phosphoethanolamine (PE)PhosphoethanolamineME428703-C003461577.3-
pimelate (heptanedioate)Pimelic acidME428704385C026561602.9-
pinitolPinitolME428705-C038441773-
pyrophosphate (PPi)PyrophosphateME428706644102C000131642.3-
pyruvatePyruvic acidME428707107735C000221130.6-
ribitolRibitolME428708-C004741692.4-
riboseRiboseME4287095311110C001211652-
ribuloseL-RibuloseME42871079021C003091662-
scyllo-inositolMyo-inositolME428711-C061531893.8-
serineSerineME428712-C000651656.3-
sorbitolSorbitolME428713107428C007941843-
sphingomyelinSM 18:1;O2/18:0ME4287156453725C005502645-
stearamideStearamideME42871431292C138462071-
succinateSuccinic acidME4287161110C000421348-
taurineTaurineME428717-C002451616.4-
threitolThreitolME428718169019C168841513-
threonateThreonic acidME428719151152C016201560.7-
threonineThreonineME428720-C001881687.4-
uracilUracilME4287221174C001061370.4-
ureaUreaME428723-C000861223.9-
vaccenate (18:1n7)trans-Vaccenic acidME4286605282761C083671987-
xanthineXanthineME4287241188C003851889.9-
xylitolXylitolME4287256912C003791677.6-
xylonateXylonic acidME4287266602431C054111722-
xyloseXyloseME42872795259C001811723.9-
xyluloseXyluloseME4287285289590C003101668-


Analysis: LC/MS POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-arachidonoyl-GPC* (20:4)*LPC 20:4/0:0ME428729-C052085554-
1-arachidoyl-GPC (20:0)LPC 20:0/0:0ME428730--6100-
1-docosahexaenoyl-GPC* (22:6)*-ME428731--5518-
1-eicosatrienoyl-GPC* (20:3)*-ME428732--5600-
1-heptadecanoyl-GPC (17:0)-ME428733--5750-
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME42873411988421C041005574-
1-methyladenosine1-MethyladenosineME4288105460178C024941356-
1-methylguanosine1-MethylguanosineME42881196373-1850-
1-myristoyl-GPC (14:0)LPC 14:0ME428735460604-5481-
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME42873616081932-5700-
1-palmitoleoyl-GPC* (16:1)*LPC 16:1/0:0ME428737--5524-
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME42873886554-5671-
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME428739497299-5844-
2-aminoadipatealpha-Aminoadipic acidME428741469C00956794-
2-arachidonoyl-GPC* (20:4)*-ME428742--5524-
2'-deoxycytidineDeoxycytidineME42874013711C008811256-
2-docosahexaenoylglycerophosphoethanolamine*LPE 22:6ME428743--5512-
2-linoleoyl-GPC* (18:2)*-ME428744--5544-
2-methylbutyroylcarnitine (C5)CAR 4:0;2MeME4287456426901-2439-
2-palmitoyl-GPC* (16:0)*LPC 0:0/16:0ME428746--5604-
2-stearoyl-GPC* (18:0)*LPC 18:0ME42874710208382-5780-
3-dehydrocarnitine*3-DehydrocarnitineME4287486991982C026361020-
3-methylcrotonylglycine3-MethylcrotonylglycineME428749169485-2580-
3-methylglutaroylcarnitine (C6)CAR DC5:0;3MeME428750128145-1900-
3-ureidopropionateUreidopropionic acidME428751111C026421062-
4-acetamidobutanoate4-Acetamidobutanoic acidME42875218189C029461724-
4-guanidinobutanoate4-Guanidinobutanoic acidME428753500C010351085-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME428754439176C001702427-
5-oxoprolinePyroglutamic acidME4287557405C018791446-
7-methylguanine7-MethylguanineME42875611361C022421353-
acetylcarnitine (C2)CAR 2:0ME4287577045767C025711203-
adenosineAdenosineME42875860961C002121650-
alanineAlanineME428760-C00041650-
AMPAMPME42875915938965C000201210-
anthranilate2-Aminobenzoic acidME428761-C001083213-
arginineArginineME428762-C00062650-
betaineBetaineME428763247C00719721-
butyrylcarnitine (C4)CAR 4:0ME428764213144-2007-
butyrylglycine (C4)N-ButyrylglycineME42876588412-2077-
carnitineCarnitineME42876710917C00318702-
C-glycosyltryptophan*C-GlycosyltryptophanME428766--1912-
cholineCholineME428768170746C00114674-
citrullineCitrullineME428769833C00327715-
corticosteroneCorticosteroneME4287705753C021404856-
creatineCreatineME428771586C00300758-
creatinineCreatinineME428772588C00791730-
cysteine-glutathione disulfideS-Glutathionyl-cysteineME4287734247235-821-
cytidineCytidineME4287746175C004751065-
deoxycarnitine3-DehydroxycarnitineME428775725C01181759-
dimethylarginine (ADMA + SDMA)DimethylarginineME428776123831C03626812-
ectoineEctoineME428777-C06231832-
ergothioneineErgothioneineME4287783032311C05570847-
gamma-glutamylalaninegamma-GlutamylalanineME428779440103-1108-
gamma-glutamylglutaminegamma-GlutamylglutamineME428780150914-806-
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME428781--2644-
gamma-glutamylleucinegamma-GlutamylleucineME428782151023-2744-
gamma-glutamylmethioninegamma-GlutamylmethionineME4287837009567-1993-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME428784111299-2846-
gamma-glutamyltryptophangamma-GlutamyltryptophanME4287853038501-3033-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME42878694340-2073-
gamma-glutamylvalinegamma-GlutamylvalineME428787--2040-
glutamineGlutamineME4287885961C00064684-
glutathione, oxidized (GSSG)Oxidized glutathioneME428789-C001271535-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME428790657272C00670694-
glycylvalineGly-ValME428791--1572-
hemeHemeME428792-C000325057-
hexanoylcarnitine (C6)CAR 6:0ME4287936426853-3174-
homocitrullineHomocitrullineME428794-C02427832-
homostachydrine*(S)-HomostachydrineME428795441447C082831199-
hydroxyisovaleroylcarnitine (C5)-ME428796--1683-
imidazole propionateImidazole propanoateME42879770630-1011.7-
isobutyrylcarnitine (C4)CAR 3:0;2MeME428798--1941-
isoleucineIsoleucineME428799791C004071614-
isovalerylcarnitine (C5)CAR 4:0;3MeME4288006426851-2533-
kynurenineKynurenineME428801-C003281902-
laurylcarnitine (C12)CAR 12:0ME42880210427569-5066-
leucineLeucineME428803-C001231674-
metacryloyl glycine-ME428804152645-1922-
methionineMethionineME428805-C000731252-
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME428812--2656-
N-acetyl-beta-alanineN-Acetyl-beta-alanineME42880676406C010731460-
N-acetylisoleucineN-AcetylisoleucineME4288072802421-3370-
N-acetylleucineN-AcetylleucineME42880870912C027103444-
N-delta-acetylornithine*N(5)-Acetyl-ornithineME4288099920500-836.2-
nicotinamideNiacinamideME428813936C001531267-
octanoylcarnitine (C8)CAR 8:0ME428814123701C028384100-
oleoylcarnitine (C18)CAR 18:1ME428815--5202-
ophthalmateOphthalmic acidME4288169817431-1457-
palmitoylcarnitine (C16)CAR 16:0ME428817461C029905179-
pantothenate (Vitamin B5)Pantothenic acidME4288186613C008642218-
phenylalaninePhenylalanineME428819-C000792056-
pipecolatePipecolic acidME428820849C004081120-
prolineProlineME428822-C00148796-
prolylhydroxyprolinePro-hydroxyProME42882111673055-960-
propionylcarnitine (C3)CAR 3:0ME428823107738C030171589-
serotonin (5HT)SerotoninME4288245202C007801660-
sphinganineSphinganineME4288253126C008365175-
sphingosineSphingosineME4288265353955C003195197-
stachydrineStachydrineME428827115244C10172860-
succinylcarnitine (C4)CAR DC4:0ME428828--1401-
TDTEDKGEFLSEGGGV*-ME428829--3301-
TDTEDKGEFLSEGGGVR*-ME428830--2880-
tigloylglycineTiglylglycineME4288316441567-2523-
trans-urocanateUrocanic acidME428832736715C007851119-
tryptophanTryptophanME428833-C000782445-
tyrosineTyrosineME428834-C000821516-
valineValineME428835-C001831040-
xanthosineXanthosineME42883664959C017621785-


Analysis: LC/MS NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME4288525312435-5558-
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME4288535312513-5775-
10-undecenoate (11:1n1)10-Hendecenoic acidME428854--5086-
1,11-undecanedicarboxylateTridecanedioic acidME42883710458-3578-
12,13-hydroxyoctadec-9(Z)-enoate12,13-DiHOMEME42885510236635C148295137-
12-HEPE12-HEPEME42885610041593-5236-
12-HETE12-HETEME428857--5295-
13-HODE + 9-HODEHODEME428858--5270-
17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoate17,18-DiHETEME42886016061120-5104.1-
17-methylstearateXi-17-Methyloctadecanoic acidME4288613083779-5987-
1-arachidonoyl-GPE* (20:4)*LPE 20:4/0:0ME428838--5731-
1-arachidonoyl-GPI* (20:4)*LPI 20:4/0:0ME428839--5479-
1-linoleoylglycerol (18:2)MG 18:2ME4288405283469-6226-
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME428841--5725-
1-linoleoyl-GPI* (18:2)*LPI 18:2/0:0ME428842--5487-
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME4288439547071-5928-
1-oleoyl-GPI (18:1)*LPI 18:1/0:0ME428844--5577-
1-palmitoleoylglycerophosphoethanolamine*LPE 16:1ME428845--5661-
1-palmitoylglycerol (16:0)MG 16:0/0:0/0:0ME42884614900-6250-
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME4288479547069-5940-
1-palmitoyl-GPI* (16:0)*LPI 16:0/0:0ME428848--5573-
1-palmitoylplasmenylethanolamine*LPE P-16:0 or LPE O-16:1ME428849--6153-
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME4288509547068-6200-
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME428851--5800-
2-aminophenol sulfate2-Aminophenyl sulfateME428863181670-1670.8-
2-arachidonoyl-GPE* (20:4)*-ME428864--5674-
2'-deoxyuridineDeoxyuridineME42886213712C005261608-
2-ethylhexanoate (isobar with 2-propylpentanoate)-ME428865--3909-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME428866164623-1787-
2-hydroxydecanoic acid2-Hydroxycapric acidME42886721488-4826-
2-hydroxyoctanoate2-Hydroxyoctanoic acidME42886894180-3781-
2-hydroxypalmitate2-Hydroxypalmitic acidME42886992836-5508-
2-hydroxystearate2-Hydroxystearic acidME42887069417C030455705-
2-linoleoyl-GPE* (18:2)*-ME428871--5650-
2-oleoyl-GPC* (18:1)*-ME428872--6000-
2-oleoyl-GPE* (18:1)*-ME428873--5848-
2-palmitoyl-GPE* (16:0)*-ME428874--5790-
3-(4-hydroxyphenyl)lactate (HPLA)4-Hydroxyphenyllactic acidME4288759378C036721395-
3-ethylphenylsulfate*-ME428876-C143863490-
3-hydroxydecanoate3-Hydroxydecanoic acidME42887726612-4681-
3-hydroxyoctanoate3-Hydroxyoctanoic acidME42887826613-3463-
3-indoxyl sulfateIndoxyl sulfateME42887910258-2258-
3-methyl-2-oxobutyrateKetoisovaleric acidME42888149C001411489-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME42888247C006712106-
3-methyl catechol sulfate 1-ME428880--2779.2-
3-methylhistidine3-MethylhistidineME428883-C01152911-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME428884-C056292830-
4-ethylphenyl sulfate4-EthylphenolME428885-C136373570-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME428886979C011791716-
4-methyl-2-oxopentanoateKetoleucineME42888770C002332200-
4-methylcatechol sulfate-ME428888--2666.4-
4-vinylphenol sulfate4-HydroxystyreneME4288896426766C056273323-
7-HOCA7alpha-Hydroxy-3-oxo-4-cholestenoic acidME4288903081085C173375268-
8-hydroxyoctanoate8-Hydroxyoctanoic acidME42889169820-2323-
9,10-hydroxyoctadec-12(Z)-enoic acid9,10-DiHOMEME4288929966640C148285177-
adrenate (22:4n6)Adrenic acidME4288935282844C165275684-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME42889483697C032641854-
arachidonate (20:4n6)Arachidonic acidME428895444899C002195525-
azelate (nonanedioate; C9)Azelaic acidME4288962266C082611322-
beta-muricholatebeta-Muricholic acidME4288973083762C177264787-
bilirubin (E,E)*BilirubinME4288985315454-4242-
biliverdinBiliverdinME428899-C005004671-
caprate (10:0)Capric acidME4289002969C015715092-
caproate (6:0)Caproic acidME4289018892C015852766-
caprylate (8:0)Caprylic acidME428902379C064234367-
carnosineCarnosineME428903-C00386813-
catechol sulfateCatechol sulfateME4289043083879C000901928-
cholateCholic acidME428905-C006955148-
cinnamoylglycineCinnamoylglycineME428906709625-3139-
daidzeinDaidzeinME4289075281708C102083541-
deoxycholateDeoxycholic acidME428908440355C044835268-
dihomolinoleate (20:2n6)11Z,14Z-Eicosadienoic acidME4289096439848C165255722-
dihomolinolenate (20:3n3 or 3n6)Eicosatrienoic acidME4289105312529C032425600-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME4289115282807C165336017-
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME428912445580C064295518-
docosapentaenoate (DPA; 22:5n3)DPAME428913-C165135574-
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME4289146441454C165135625-
dodecanedioate (C12)Dodecanedioic acidME42891512736C026782990-
eicosanodioateEicosanedioic acidME42891675502-5199.1-
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME428917446284C064285442-
eicosenoate (20:1n9 or 1n11)cis-Gondoic acidME428918--5955-
equol glucuronide-ME428919--3195-
equol sulfate-ME428920--3625-
erucate (22:1n9)cis-Erucic acidME4289218216C083166273.3-
formononetinFormononetinME4289225280378C008584441-
genisteinGenisteinME4289235280961C065633745-
guanosineGuanosineME4289246802C003871675-
heptanoate (7:0)Heptylic acidME4289258094C177143695-
hexadecanedioate (C16)Hexadecanedioic acidME42892610459-4650-
hexanoylglycine (C6)HexanoylglycineME42892799463-2918-
hippurateHippuric acidME428928464C015862136-
histidineHistidineME428929-C00135757-
hypoxanthineHypoxanthineME428930790C002621313-
indolepropionate3-Indolepropionic acidME4289313744-2795-
inosineInosineME428932-C002941600-
isovalerate (C5)Isovaleric acidME42893310430C082621623-
isovalerylglycineIsovalerylglycineME428934546304-1961-
kynurenateKynurenic acidME4289353845C017172243-
laurate (12:0)Lauric acidME4289363893C026795288-
linoleate (18:2n6)Linoleic acidME4289375280450C015955533-
linolenate (18:3n3 or 3n6)Octadecatrienoic acidME428938-C064275450-
margarate (17:0)Margaric acidME42893910465-5733-
methyl-beta-glucopyranoside-ME4289402108-1083-
methylpalmitate (15 or 2)-ME428859--5698-
myristate (14:0)Myristic acidME42894111005C064245439-
myristoleate (14:1n5)Myristoleic acidME4289425281119C083225338-
N-acetylmethionineN-AcetylmethionineME428943448580C027121805-
N-acetylphenylalanineN-AcetylphenylalanineME42894474839C035192590-
N-acetylthreonineN-AcetylthreonineME4289454651717C01118846-
N-acetyltryptophanN-Acetyl-tryptophanME428946700653C031372650-
N-acetyltyrosineN-AcetyltyrosineME42894768310-1677-
N-formylmethionineN-FormylmethionineME428948439750C031451541-
nonadecanoate (19:0)Nonadecylic acidME42894912591C165356073-
octadecanedioate (C18)Octadecanedioic acidME42895070095-5033-
palmitate (16:0)Palmitic acidME428952985C002495619-
palmitoleate (16:1n7)Palmitoleic acidME428953445638C083625477-
p-cresol sulfatep-Cresol sulfateME4289514615422C014682896-
pelargonate (9:0)Pelargonic acidME4289545461016C016014847-
phenol sulfatePhenyl hydrogen sulfateME42895574426C021802150-
phenylacetylglycinePhenylacetylglycineME42895668144C055982377-
phenyllactate (PLA)Phenyllactic acidME4289573848C056072237-
phenylpropionylglycinePhenylpropionylglycineME428958152323-2981-
pseudouridinePseudouridineME428959-C020671104-
pyridoxate4-Pyridoxic acidME4289606723C008472210-
salicylateSalicylic acidME428961338C008052226-
sebacate (decanedioate)Sebacic acidME4289625192C082771778-
stearate (18:0)Stearic acidME4289635281C015305886-
stearidonate (18:4n3)Stearidonic acidME4289645312508C163005381-
suberate (octanedioate)Suberic acidME42896510457C08278831-
tauro(alpha + beta)muricholateTauromuricholic acidME428966--4743.7-
taurochenodeoxycholateTaurochenodeoxycholic acidME428967387316C054655218-
taurocholateTaurocholic acidME428968-C051225122-
taurodeoxycholateTaurodeoxycholic acidME4289692733768C054635243-
tauroursodeoxycholateTauroursodeoxycholic acidME428970--5002.6-
tetradecanedioate (C14)Tetradecanedioic acidME42897113185-3970-
thymidineThymidineME4289725789C002141935-
undecanedioateUndecanedioic acidME42897315816-2376-
undecanoate (11:0)Undecylic acidME4289748180-5207-
urateUric acidME428975-C00366769-
uridineUridineME4289766029C002991430-
valerate (5:0)Valeric acidME4289777991C008031774-
valerylglycine (C5)ValerylglycineME4289784737557-2117-


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