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

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




Chemical Formula:
C25H25O12
Molecular Weight:
517.465 Daltons
Monoisotopic Mass:
518.1424262998 Daltons
SMILES:
COC1(=CC=C2(C(=C1)O[CH]3([CH]2COC5(=C3C=CC(OC4(OC(COC(CC([O-])=O)=O)C(O)C(O)C(O)4))=C5))))
InChI:
1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)/p-1/t15-,18+,21+,22-,23+,24-,25+/m0/s1
InChIKey:
BQAJKXKYTQTBDK-PCHDOLKHSA-M

Databases
MetaCyc:  CPD-4123
PubChem (CID):  90659120
KEGG:  C16224
Seed:  cpd14943
MetaNetX:  MNXM5351
ChEBI:  80391