4-methylumbelliferone 6'-O-malonylglucoside

Chemical Formula:

C₁₉H₁₉O₁₁

Molecular Weight:

423.352 Daltons

Monoisotopic Mass:

424.1005614851 Daltons

SMILES:

CC3(C2(C=CC(OC1(OC(COC(=O)CC(=O)[O-])C(O)C(O)C(O)1))=CC=2OC(=O)C=3))

InChI:

1S/C19H20O11/c1-8-4-15(23)29-11-5-9(2-3-10(8)11)28-19-18(26)17(25)16(24)12(30-19)7-27-14(22)6-13(20)21/h2-5,12,16-19,24-26H,6-7H2,1H3,(H,20,21)/p-1/t12-,16-,17+,18-,19-/m1/s1

InChIKey:

AYSIYQZBMZTTTC-DCCCRPSOSA-M

Databases

MetaCyc: CPD-13688

PubChem (CID): 90657303

Seed: cpd23996

MetaNetX: MNXM14775