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

Properties

Image

Occurences in reactions

MNX_ID

MNXM165097

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₂₇H₂₉O₁₇

charge

-1

mass

625.14102

reference

chebi:144438

InChIKey

RDUAJIJVNHKTQC-UJECXLDQSA-M

InChI

InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/p-1/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:144438 chebi:144438	quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside 2-(3,4-dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4-oxo-4H-chromen-7-olate quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside(1-)
seed.compound:cpd09286 seedM:cpd09286	QUOSP Baimaside Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside Quercetin 3-O-sophoroside Quercetin 3-beta-D-sophoroside baimaside quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside quercetin 3-O-sophoroside quercetin 3-o-sophoroside quercetin diglucoside
kegg.compound:C12667 keggC:C12667	Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside Baimaside QUOSP Quercetin 3-O-sophoroside Quercetin 3-beta-D-sophoroside
CHEBI:32082 chebi:32082	quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-4H-1-benzopyran-4-one 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside Baimaside QUOSP Quercetin 3-O-sophoroside Quercetin 3-beta-D-sophoroside
metacyc.compound:CPD-14849 metacycM:CPD-14849	quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside QUOSP baimaside quercetin 3-O-beta-D- quercetin 3-O-sophoroside quercetin diglucoside
keggC:M_C12667 seedM:M_cpd09286	secondary/obsolete/fantasy identifier