input word = C00010173

Metabolite InformationStructural formula
Name 4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylglucoside)
Formula C36H36O11
Mw 644.22576199
CAS RN 126654-66-8
C_ID C00010173 ,
InChIKey ZJTGUFCATXASHE-GUXNVLLTNA-N
InChICode InChI=1S/C36H36O11/c1-20(2)4-8-23-16-22(9-14-28(23)43-3)27-19-44-29-17-25(12-13-26(29)32(27)40)45-36-35(34(42)33(41)30(18-37)46-36)47-31(39)15-7-21-5-10-24(38)11-6-21/h4-7,9-17,19,30,33-38,41-42H,8,18H2,1-3H3/b15-7+/t30-,33+,34-,35+,36+/m0/s1
SMILES O(c1cc2c(c(=O)c(co2)c2ccc(c(c2)CC=C(C)C)OC)cc1)[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
PlantaeOrobanchaceaeSopubia delphinifolia Ref.
zoom in