isorhamnetin 3-O-glucoside

Chemical Formula:

C₂₂H₂₂O₁₂

Molecular Weight:

478.409 Daltons

Monoisotopic Mass:

478.1111261714 Daltons

SMILES:

COC1(=CC(=CC=C(O)1)C3(OC4(C(C(=O)C(OC2(C(C(C(O)C(O2)CO)O)O))=3)=C(O)C=C(O)C=4)))

InChI:

1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1

InChIKey:

CQLRUIIRRZYHHS-LFXZADKFSA-N

Synonyms

isorhamnetin 3-glucoside

Databases

MetaCyc: CPD-14969

PubChem (CID): 5318645

MetaboLights: MTBLC75750

ChEBI: 75750

MetaNetX: MNXM527533