kaempferol 3-O-β-D-glucoside

Chemical Formula:

C₂₁H₁₉O₁₁

Molecular Weight:

447.374 Daltons

Monoisotopic Mass:

448.1005614851 Daltons

SMILES:

C(O)C4(OC(OC1(=C(OC2(C=C([O-])C=C(O)C(C(=O)1)=2))C3(=CC=C(O)C=C3)))C(O)C(O)C(O)4)

InChI:

1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/p-1/t13-,15-,17+,18-,21+/m1/s1

InChIKey:

JPUKWEQWGBDDQB-QSOFNFLRSA-M

Synonyms

kaempferol-3-O-D-glucoside
kaempferol-3-glucoside
astragalin

Databases

MetaCyc: CPD1F-453

MetaboLights: MTBLC30200

HMDB: HMDB37429

LIPID MAPS: LMPK12111725

ChEBI: 30200

PubChem (CID): 25203515

KEGG: C12249

Seed: cpd09028

MetaNetX: MNXM3628