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 c1(c(c(c2c(c1)occ(c2=O)c1c(cc2c(c1)OCO2)OC)OC)OC)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)/C=C/c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeTrichosanthes anguina Ref.
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