input word = C00052231

Metabolite InformationStructural formula
Name trans-Aconitic acid
Formula C6H6O6
Mw 174.01643793
CAS RN 4023-65-8
C_ID C00052231
InChIKey GTZCVFVGUGFEME-HNQUOIGGSA-N
InChICode InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
SMILES O=C(O)/C=C(CC(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaePisum sativum Ref.
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OrganismHomo sapiens (Urine)
ReferencePLoS ONE., 2013, 8(9), e73076