afrormosin-7-O-glucoside-6''-O-malonate

Chemical Formula:

C₂₆H₂₅O₁₃

Molecular Weight:

545.476 Daltons

Monoisotopic Mass:

546.1373409219 Daltons

SMILES:

COC1(C=CC(=CC=1)C2(C(C4(C(OC=2)=CC(OC3(OC(COC(CC([O-])=O)=O)C(O)C(O)C(O)3))=C(OC)C=4))=O))

InChI:

1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-16-8-18(17(35-2)7-14(16)22(15)30)38-26-25(33)24(32)23(31)19(39-26)11-37-21(29)9-20(27)28/h3-8,10,19,23-26,31-33H,9,11H2,1-2H3,(H,27,28)/p-1

InChIKey:

HOWDEROVXAADRI-UHFFFAOYSA-M

Databases

MetaCyc: CPD-10081

PubChem (CID): 25203698

Seed: cpd22545

HMDB: HMDB39083

MetaNetX: MNXM15769