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 O(c1cc2c(c(=O)c(co2)c2ccc(cc2)OC)cc1)[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)COC(=O)CC(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCicer arietinum Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeFabaceaeTrifolium spp. Ref.
zoom in