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quercetin 7-O-beta-D-glucoside

PropertiesImage
MNX_IDMNXM739092 Image of MNXM739092
referencechebi:28529
formulaC21H20O12
global charge0
mol weight464.379
InChIKeyBBFYUPYFXSSMNV-HMGRVEAOSA-N
InChIInChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
SMILESO=C1C(O)=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2
MNX internals
InChI (mnx)InChI=1/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1 Image of MNXM739092
SMILES (mnx)[CH:1]1=[CH:2][C:9]([OH:23])=[C:10]([OH:24])[CH:3]=[C:7]1[C:20]1=[C:18]([OH:29])[C:16](=[O:27])[C:14]2=[C:11]([OH:25])[CH:4]=[C:8]([O:31][C@H:21]3[C@H:19]([OH:30])[C@@H:17]([OH:28])[C@H:15]([OH:26])[C@@H:13]([CH2:6][OH:22])[O:33]3)[CH:5]=[C:12]2[O:32]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28529
chebi:28529
BBFYUPYFXSSMNV-HMGRVEAOSA-N 		quercetin 7-O-beta-D-glucoside
2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
3,5-Dihydroxy-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one
Quercetin 7-O-beta-D-glucoside
Quercetin 7-O-glucoside
Quercimeritroside
quercimeritrin

sabiork.compound:14670
sabiorkM:14670
BBFYUPYFXSSMNV-HMGRVEAOSA-N 		Quercetin 7-O-beta-D-glucoside
Quercimeritrin

seed.compound:cpd02170
seedM:cpd02170
BBFYUPYFXSSMNV-HMGRVEAOSA-M 		Quercetin 7-O-glucoside
Quercetin 7-O-beta-D-glucoside
Quercimeritrin
quercetin 7-O-glucoside
quercimeritrin
hmdb:HMDB0302151
BBFYUPYFXSSMNV-HMGRVEAOSA-N 		Quercetin 7-glucoside
2-(3,4-Dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-3,5-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
3,5-Dihydroxy-2-(3,4-dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-4H-1-benzopyran-4-one
3,5-Dihydroxy-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one
Quercetin 7-O-b-D-glucoside
Quercetin 7-O-beta-D-glucoside
Quercetin 7-O-glucoside
Quercimeritrin
Quercimeritroside
quercimeritrin

kegg.compound:C12639
keggC:C12639
BBFYUPYFXSSMNV-HMGRVEAOSA-N 		Quercimeritrin
Quercetin 7-O-beta-D-glucoside

lipidmaps:LMPK12112179
lipidmapsM:LMPK12112179
BBFYUPYFXSSMNV-HMGRVEAOSA-N 		Quercimeritrin
Quercetin-7-O-glucoside

metacyc.compound:CPD-8006
metacycM:CPD-8006
BBFYUPYFXSSMNV-HMGRVEAOSA-M 		quercetin 7-O-glucoside
quercimeritrin

chebi:26480
chebi:32084
chebi:8704
keggC:M_C12639
seedM:M_cpd02170 		secondary/obsolete/fantasy identifier