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 COc1ccc(-c2coc3cc(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)C4OC(=O)/C=C/c4ccc(O)cc4)ccc3c2=O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePterocarpus marsupium Ref.
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