input word = C00052427

Metabolite InformationStructural formula
Name Vanillylmandelic acid
Formula C9H10O5
Mw 198.05282343
CAS RN 55-10-7
C_ID C00052427
InChIKey CGQCWMIAEPEHNQ-UHFFFAOYSA-N
InChICode InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
SMILES COc1cc(C(O)C(=O)O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
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