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quercetin 3-O-beta-D-glucoside

MNXM21432 is deprecated and here replaced by MNXM731494
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731494 Image of MNXM731494
referencechebi:144437
formulaC21H19O12
global charge-1
mol weight463.371
InChIKeyOVSQVDMCBVZWGM-QSOFNFLRSA-M
InChIInChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/p-1/t13-,15-,17+,18-,21+/m1/s1
SMILESO=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=CC([O-])=C2
MNX internals
InChI (mnx)InChI=1/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 Image of MNXM731494
SMILES (mnx)[CH:1]1=[CH:2][C:9]([OH:24])=[C:10]([OH:25])[CH:3]=[C:7]1[C:19]1=[C:20]([O:33][C@H:21]2[C@H:18]([OH:30])[C@@H:17]([OH:29])[C@H:15]([OH:27])[C@@H:13]([CH2:6][OH:22])[O:32]2)[C:16](=[O:28])[C:14]2=[C:11]([OH:26])[CH:4]=[C:8]([OH:23])[CH:5]=[C:12]2[O:31]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:144437
chebi:144437
OVSQVDMCBVZWGM-QSOFNFLRSA-M 		quercetin 3-O-beta-D-glucoside
2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-7-olate
quercetin 3-O-beta-D-glucopyranoside(1-)
hmdb:HMDB0037362
OVSQVDMCBVZWGM-QSOFNFLRSA-N 		Isoquercitrin
2-(3,4-Dihidroxyphenyl)-3-(b-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-Dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-Dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, 9ci
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
3',4',5,7-Tetrahydroxyflavone-3-beta-D-glucopyranoside
3,3',4',5,7-Pentahydroxyflavone 3-beta-glucoside
3-Glucopyranosyloxy-3',4',5,7-tetrahydroxyflavone
3-Glucosylquercetin
3-O-beta-D-Glucopyranosylquercetin
3-beta-D-Glucosylquercetin
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy
Contigoside B
Flavone, 3,3',4',5,7-pentahydroxy-, 3-beta-D-glucofuranoside
Glucosyl 3-quercetin
Glucosyl-3-quercetin
Hirsutrin
Isoquercetin
Isoquercetrin
Isoquercitin
Isoquercitroside
Isotrifoliin
Quercetin 3-(beta-D-glucofuranoside)
Quercetin 3-D-glucoside
Quercetin 3-O-b-D-glucopyranoside
Quercetin 3-O-beta-D-glucofuranoside
Quercetin 3-O-beta-D-glucopyranoside
Quercetin 3-O-beta-D-glucoside
Quercetin 3-O-beta-glucoside
Quercetin 3-O-glucopyranoside
Quercetin 3-O-glucoside
Quercetin 3-beta-D-glucopyranoside
Quercetin 3-beta-D-glucoside
Quercetin 3-beta-O-glucoside
Quercetin 3-beta-glucoside
Quercetin 3-glucopyranoside
Quercetin 3-glucoside
Quercetin 3-mono-D-glucoside
Quercetin 3-monoglucoside
Quercetin 3beta-O-glucoside
Quercetin 3beta-glucoside
Quercetin glucoside
Quercetin-3-O-beta-glucoside
Quercetin-3-O-glucoside
Quercetin-3-beta-glucopyranoside
Quercetin-3-glucose
Quercetin-3-glucoside
Quercetol 3-glucoside
Quercetol 3-monoglucoside
Trifoliin
Trifoliin a
isoquercitin

kegg.compound:C05623
keggC:C05623
OVSQVDMCBVZWGM-QSOFNFLRSA-N 		Isoquercitrin
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
Isotrifoliin
Quercetin 3-O-glucoside

lipidmaps:LMPK12112086
lipidmapsM:LMPK12112086
OVSQVDMCBVZWGM-QSOFNFLRSA-N 		Isoquercitrin
Hirsutrin

sabiork.compound:28325
sabiorkM:28325
OVSQVDMCBVZWGM-QSOFNFLRSA-N 		Quercetin glucoside

seed.compound:cpd26557
seedM:cpd26557
OVSQVDMCBVZWGM-QSOFNFLRSA-M 		glucosyl 3-quercetin
isoquercetin
isoquercitrin
isotrifoliin
quercetin-3-O-beta-D-glucoside
quercetin-3-glucoside

CHEBI:68352
chebi:68352
OVSQVDMCBVZWGM-QSOFNFLRSA-N 		quercetin 3-O-beta-D-glucopyranoside
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside
Isoquercitrin
Isotrifoliin
isoquercetin

metacyc.compound:CPD1F-437
metacycM:CPD1F-437
OVSQVDMCBVZWGM-QSOFNFLRSA-M 		quercetin-3-O-beta-D-glucoside
glucosyl 3-quercetin
isoquercetin
isoquercitrin
isotrifoliin
quercetin-3-O-beta-D-glucopyranoside
quercetin-3-glucoside

hmdb:HMDB37362
keggC:M_C05623
seedM:M_cpd26557 		secondary/obsolete/fantasy identifier