kaempferol 3-O-β-D-glucosyl-(1->2)-β-D-glucoside

Chemical Formula:

C₂₇H₂₉O₁₆

Molecular Weight:

609.516 Daltons

Monoisotopic Mass:

610.1533849166 Daltons

SMILES:

C5(C(C4(OC1(C=C(C=C(C=1C(C(OC2(C(C(C(O)C(O2)CO)O)OC3(C(C(C(O)C(O3)CO)O)O)))=4)=O)O)[O-])))=CC=C(C=5)O)

InChI:

1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/p-1/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1

InChIKey:

LKZDFKLGDGSGEO-UJECXLDQSA-M

Synonyms

kaempferol-3-O-sophoroside

Databases

MetaCyc: CPD-8067

PubChem (CID): 90659051 135398083

MetaboLights: MTBLC31743

ChEBI: 31743

KEGG: C12634

Seed: cpd25021

MetaNetX: MNXM163831

3DMET: B04664