kaempferol 3-O-[6-(4-coumaroyl)-β-D-glucosyl-(1->2)-glucosyl-(1->2)-β-D-glucoside

Chemical Formula:

C₄₂H₄₆O₂₃

Molecular Weight:

918.812 Daltons

Monoisotopic Mass:

918.2429877849 Daltons

SMILES:

C(=O)(OCC6(C(O)C(O)C(O)C(OC1(C(C(O)C(OC1OC2(C(C(O)C(OC2OC3(C(C5(C(=CC(=CC(OC=3C4(C=CC(=CC=4)O))=5)O)O))=O))CO)O))CO)O))O6))C=CC7(C=CC(O)=CC=7)

InChI:

1S/C42H46O23/c43-13-23-29(51)34(56)39(41(60-23)63-37-31(53)27-21(48)11-20(47)12-22(27)59-36(37)17-4-8-19(46)9-5-17)65-42-38(33(55)28(50)24(14-44)61-42)64-40-35(57)32(54)30(52)25(62-40)15-58-26(49)10-3-16-1-6-18(45)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40+,41+,42+/m0/s1

InChIKey:

LFLDSGWMOQHQIG-QSNQBEPESA-N

Databases

MetaCyc: CPD-8069

PubChem (CID): 90658991

MetaboLights: MTBLC31741

ChEBI: 31741

KEGG: C12636

Seed: cpd25023

MetaNetX: MNXM168044