input word = C00019384

Metabolite InformationStructural formula
Name Daidzin 6''-O-malonate
7,4'-Dihydroxyisoflavone 7-O-(6''-malonylglucoside)
Malonyldaidzin
Formula C24H22O12
Mw 502.11112617
CAS RN 124590-31-4
C_ID C00019384 ,
InChIKey MTXMHWSVSZKYBT-UKUUIXKKNA-N
InChICode InChI=1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)/t17-,21-,22+,23-,24-/m1/s1
SMILES O=C(O)CC(=O)OCC1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaePueraria montana var. lobata Ref.
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OrganismGlycine max
ReferenceYuk, H. J. et al., J. Agric. Food Chem., 64, (2016), 7315-7324.