input word = C00052426

Metabolite InformationStructural formula
Name Vanillyllactic acid
Formula C10H12O5
Mw 212.06847349
CAS RN 2475-56-1
C_ID C00052426
InChIKey SVYIZYRTOYHQRE-UHFFFAOYSA-N
InChICode InChI=1S/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,11-12H,4H2,1H3,(H,13,14)
SMILES COc1cc(CC(O)C(=O)O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
PlantaeFabaceaeVicia faba Ref.
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OrganismVicia faba
Referencehttps://doi.org/10.1016/j.phytochem.2018.05.011