input word = C00040996

Metabolite InformationStructural formula
Name 3,4-Dihydroxybenzeneacetic acid
Formula C8H8O4
Mw 168.04225874
CAS RN 102-32-9
C_ID C00040996 ,
InChIKey CFFZDZCDUFSOFZ-UHFFFAOYSA-N
InChICode InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
SMILES c1c(c(cc(c1)CC(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
PlantaeTaxaceaeTaxus baccata Ref.
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