3-O-β-D-glucosyl-esculetin

Chemical Formula:

C₁₅H₁₆O₉

Molecular Weight:

340.286 Daltons

Monoisotopic Mass:

340.0794321125 Daltons

SMILES:

C2(OC3(=C(C=C(OC1(C(C(C(O)C(O1)CO)O)O))2)C=CC(O)=C3))(=O)

InChI:

1S/C15H16O9/c16-5-10-11(18)12(19)13(20)15(24-10)23-9-3-6-1-2-7(17)4-8(6)22-14(9)21/h1-4,10-13,15-20H,5H2/t10-,11-,12+,13-,15-/m1/s1

InChIKey:

XLBKNDGYXFZZDS-ZHZXCYKASA-N

Databases

MetaCyc: CPD-14455

PubChem (CID): 90658607

MetaNetX: MNXM97662