input word = C00019385

Metabolite InformationStructural formula
Name Puerarin 6''-O-malonate
7,4'-Dihydroxyisoflavone 7-C-(6''-malonylglucoside)
Formula C24H22O12
Mw 502.11112617
CAS RN 147899-32-9
C_ID C00019385 ,
InChIKey PYAAYMRVSVAOSO-GYLQXIGWNA-N
InChICode InChI=1S/C24H22O12/c25-11-3-1-10(2-4-11)13-8-35-23-12(19(13)30)5-6-14(26)18(23)24-22(33)21(32)20(31)15(36-24)9-34-17(29)7-16(27)28/h1-6,8,15,20-22,24-26,31-33H,7,9H2,(H,27,28)/t15-,20+,21-,22+,24-/m0/s1
SMILES O=C(O)CC(=O)OCC1O[C@@H](c2c(O)ccc3c(=O)c(-c4ccc(O)cc4)coc23)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria montana var. lobata Ref.
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