input word = C00002765

Metabolite InformationStructural formula
Name Phaseolic acid
Formula C13H12O8
Mw 296.05321736
CAS RN 53755-04-7
C_ID C00002765 ,
InChIKey PMKQSEYPLQIEAY-RWPWLQBCNA-N
InChICode InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+/t10-/m0/s1
SMILES c1(c(ccc(c1)/C=C/C(=O)O[C@@H](CC(=O)O)C(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeFabaceaePhaseolus sp. Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeFabaceaeTrifolium pratense Ref.
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OrganismPhaseolus vulgaris
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter42