formononetin-7-O-glucoside-6''-malonate

formononetin-7-<i>O</i>-glucoside-6''-malonate




Chemical Formula:
C25H23O12
Molecular Weight:
515.449 Daltons
Monoisotopic Mass:
516.1267762356 Daltons
SMILES:
COC1(C=CC(=CC=1)C4(C(=O)C3(C(=CC(OC2(C(O)C(C(O)C(O2)COC(CC([O-])=O)=O)O))=CC=3)OC=4)))
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)/p-1/t18-,22-,23+,24-,25-/m1/s1
InChIKey:
RDTAGQKYPGLCBK-GOZZSVHWSA-M

Synonyms
  • 6"-O-malonylononin

Databases
MetaCyc:  CPD-4562
PubChem (CID):  90657319
KEGG:  C16222
MetaNetX:  MNXM5756
ChEBI:  80389