input word = C00007309

Metabolite InformationStructural formula
Name Homogentisate
Homogentisic acid
Formula C8H8O4
Mw 168.04225874
CAS RN 451-13-8
C_ID C00007309 ,
InChIKey IGMNYECMUMZDDF-UHFFFAOYSA-N
InChICode InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
SMILES c1c(ccc(c1CC(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
BacteriaPseudomonadaceaePseudomonas putida Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeFabaceaeGlycine max Ref.
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OrganismGlycine max
ReferenceVinutha, T. et al., J. Agric. Food Chem., 65, (2017), 11054-11064.