input word = C00010083

Metabolite InformationStructural formula
Name Formononetin 7-O-beta-D-glucoside-6''-O-malonate
Formononetin 7-O-glucoside-6''-malonate
Formononetin 7-O-(6''-malonylglucoside)
Formula C25H24O12
Mw 516.12677623
CAS RN 34232-16-1
C_ID C00010083 ,
InChIKey RDTAGQKYPGLCBK-TZKHNNPWNA-N
InChICode InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)/t18-,22+,23-,24-,25+/m0/s1
SMILES COc1ccc(-c2coc3cc(O[C@@H]4OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C4O)ccc3c2=O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCicer arietinum Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeFabaceaeTrifolium spp. Ref.
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OrganismMedicago truncatula
ReferenceFarag,Phytochem.,68,(2008),342