(-)-maackiain-3-O-glucoside-6''-malonate

(-)-maackiain-3-<i>O</i>-glucoside-6''-malonate




Chemical Formula:
C25H23O13
Molecular Weight:
531.449 Daltons
Monoisotopic Mass:
532.1216908577 Daltons
SMILES:
C4(OC1(C=C(C=CC=1[CH]5(OC3(=C(C=C2(C(OCO2)=C3))[CH]45)))OC6(C(O)C(C(O)C(COC(=O)CC(=O)[O-])O6)O)))
InChI:
1S/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27)/p-1/t13-,18+,21+,22-,23+,24-,25+/m0/s1
InChIKey:
ZHXRWFOBROFZAC-LVYGOKBNSA-M

Synonyms
  • trifolirhizin-6''-O-malonat

Databases
MetaCyc:  CPD-4223
PubChem (CID):  90658672
KEGG:  C16231
MetaNetX:  MNXM5350
ChEBI:  80396