input word = C00019588

Metabolite InformationStructural formula
Name 7-Hydroxy-5,6,6'-trimethoxy-3',4'-methylenedioxyisoflavone 7-O-(2''-p-coumaroylglucoside)
Formula C34H32O15
Mw 680.17412036
CAS RN 158591-66-3
C_ID C00019588 ,
InChIKey MRZUIFKFQDDCQC-XJXORNTBNA-N
InChICode InChI=1S/C34H32O15/c1-41-20-11-22-21(45-15-46-22)10-18(20)19-14-44-23-12-24(31(42-2)32(43-3)27(23)28(19)38)47-34-33(30(40)29(39)25(13-35)48-34)49-26(37)9-6-16-4-7-17(36)8-5-16/h4-12,14,25,29-30,33-36,39-40H,13,15H2,1-3H3/b9-6+/t25-,29-,30+,33+,34-/m1/s1
SMILES COc1cc2c(cc1-c1coc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4OC(=O)/C=C/c4ccc(O)cc4)c(OC)c(OC)c3c1=O)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeTrichosanthes anguina Ref.
zoom in