malonyldaidzin
Chemical Formula:
C24H21O12
Molecular Weight:
501.423 Daltons
Monoisotopic Mass:
502.1111261714 Daltons
SMILES:
C2(=C(C(C3(C=CC(OC1(C(C(O)C(C(COC(CC([O-])=O)=O)O1)O)O))=CC(O2)=3))=O)C4(C=CC(O)=CC=4))
InChI:
1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)/p-1/t17-,21-,22+,23-,24-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-3425
PubChem (CID):
90657625
HMDB:
HMDB41263
KEGG:
C16191
Seed:
cpd14910
MetaNetX:
MNXM7507
ChEBI:
80371