input word = C00019435

Metabolite InformationStructural formula
Name 4',5-Dihydroxy-7-methoxyisoflavone 3'-O-(3''-E-cinnamoylglucoside)
Formula C31H28O12
Mw 592.15807636
CAS RN 303050-12-6
C_ID C00019435 ,
InChIKey NZDCPGVUPNQJKH-RSXKQKNMNA-N
InChICode InChI=1S/C31H28O12/c1-39-18-12-21(34)26-23(13-18)40-15-19(27(26)36)17-8-9-20(33)22(11-17)41-31-29(38)30(28(37)24(14-32)42-31)43-25(35)10-7-16-5-3-2-4-6-16/h2-13,15,24,28-34,37-38H,14H2,1H3/b10-7+/t24-,28+,29-,30-,31+/m0/s1
SMILES COc1cc(O)c2c(=O)c(-c3ccc(O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](OC(=O)/C=C/c5ccccc5)C4O)c3)coc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePterocarpus santalinus Ref.
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