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

Chemical Formula:

C₃₃H₄₀O₂₂

Molecular Weight:

788.666 Daltons

Monoisotopic Mass:

788.2011229702 Daltons

SMILES:

C(O)C3(OC(C(OC2(OC(CO)C(O)C(O)C(OC1(C(C(C(O)C(O1)CO)O)O))2))C(O)C(O)3)OC4(C(C6(=C(OC=4C5(=CC(O)=C(O)C=C5))C=C(O)C=C(O)6))=O))

InChI:

1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1

InChIKey:

IQBMWEYFKNVACH-MEBVLIOMSA-N

Synonyms

quercetin triglucoside

Databases

MetaCyc: CPD-14850

KEGG: C12668

PubChem (CID): 5282167

MetaboLights: MTBLC32083

ChEBI: 32083

Seed: cpd09287

MetaNetX: MNXM168959