input word = C00019722

Metabolite InformationStructural formula
Name Formononetin 7-O-(2'',6''-di-O-(E-p-coumaroyl)glucoside)
7-Hydroxy-4'-methoxyisoflavone 7-O-(2'',6'-di-O-E-p-coumaroyl)-glucoside
Formula C40H34O13
Mw 722.19994117
CAS RN 264625-44-7
C_ID C00019722 ,
InChIKey GSUCRXNVNQIYKV-CZJQLYNQNA-N
InChICode InChI=1S/C40H34O13/c1-48-28-14-8-25(9-15-28)31-21-49-32-20-29(16-17-30(32)36(31)45)51-40-39(53-35(44)19-7-24-4-12-27(42)13-5-24)38(47)37(46)33(52-40)22-50-34(43)18-6-23-2-10-26(41)11-3-23/h2-21,33,37-42,46-47H,22H2,1H3/b18-6+,19-7+/t33-,37-,38+,39-,40-/m1/s1
SMILES c1(ccc2c(c1)occ(c2=O)c1ccc(cc1)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)OC(=O)/C=C/c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePterocarpus marsupium Ref.
zoom in