4-O-β-D-glucosyl-esculetin

Chemical Formula:

C₁₅H₁₆O₉

Molecular Weight:

340.286 Daltons

Monoisotopic Mass:

340.0794321125 Daltons

SMILES:

C2(OC3(C(C(OC1(C(C(C(O)C(O1)CO)O)O))=C2)=CC=C(O)C=3))(=O)

InChI:

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

InChIKey:

YZHPIOLSLRFTIM-TVKJYDDYSA-N

Databases

MetaCyc: CPD-14454

PubChem (CID): 14944048

MetaNetX: MNXM97667