malonylgenistin
Chemical Formula:
C24H21O13
Molecular Weight:
517.422 Daltons
Monoisotopic Mass:
518.1060407935 Daltons
SMILES:
C3(OC4(=CC(OC1(C(O)C(C(O)C(COC(CC([O-])=O)=O)O1)O))=CC(O)=C(C(=O)C(C2(=CC=C(C=C2)O))=3)4))
InChI:
1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)/p-1/t16-,21-,22+,23-,24-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-3422
PubChem (CID):
90658001
HMDB:
HMDB29529
KEGG:
C16192
Seed:
cpd14911
MetaNetX:
MNXM7508
ChEBI:
80372