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quercetin 3-beta-gentiotrioside

Properties

Image

Occurences in reactions

MNX_ID

MNXM114557

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₃₃H₄₀O₂₂

charge

mass

788.20112

reference

chebi:136780

InChIKey

XXHSUYNZCSBPBG-GZIDCZEMSA-N

InChI

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

SMILES

O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

Parent-child relations graph

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:136780 chebi:136780	quercetin 3-beta-gentiotrioside 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucosyl-(1->6)-beta-D-glucosyl-(1->6)-beta-D-glucoside moracetin quercetin 3-gentiotrioside quercetin beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside quercetin beta-D-glucosyl-(1->6)-beta-D-glucosyl-(1->6)-beta-D-glucoside quercetin-3-gentiotrioside
metacyc.compound:CPD-14821 metacycM:CPD-14821 seed.compound:cpd33841 seedM:cpd33841	quercetin-3-gentiotrioside
seedM:M_cpd33841	secondary/obsolete/fantasy identifier