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quercetin 4'-O-beta-D-glucoside

PropertiesImage
MNX_IDMNXM12838 Image of MNXM12838
referencechebi:187902
formulaC21H19O12
global charge-1
mol weight463.371
InChIKeyOIUBYZLTFSLSBY-HMGRVEAOSA-M
InChIInChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/p-1/t13-,15-,17+,19-,21-/m1/s1
SMILESO=C1C(O)=C(C2=CC(O)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)OC2=C1C(O)=CC([O-])=C2
MNX internals
InChI (mnx)InChI=1/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1 Image of MNXM12838
SMILES (mnx)[CH:1]1=[CH:2][C:11]([O:32][C@H:21]2[C@H:19]([OH:30])[C@@H:17]([OH:28])[C@H:15]([OH:26])[C@@H:13]([CH2:6][OH:22])[O:33]2)=[C:9]([OH:24])[CH:3]=[C:7]1[C:20]1=[C:18]([OH:29])[C:16](=[O:27])[C:14]2=[C:10]([OH:25])[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)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:187902
chebi:187902
OIUBYZLTFSLSBY-HMGRVEAOSA-M 		quercetin 4'-O-beta-D-glucoside
quercetin 4'-O-beta-D-glucopyranoside(1-)

sabiork.compound:27639
sabiorkM:27639
OIUBYZLTFSLSBY-HMGRVEAOSA-N 		Quercetin 4'-O-glucoside
hmdb:HMDB0037932
OIUBYZLTFSLSBY-HMGRVEAOSA-N 		Quercetin 4'-glucoside
3,5,7-trihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
Quercetin 4'-O-b-D-glucopyranoside
Quercetin 4'-O-beta-D-glucopyranoside
Quercetin 4'-O-beta-D-glucoside
Quercetin 4'-O-glucoside
Quercetin-4'-glucoside
Spiraein
Spiraeosid
Spiraeoside
Spireoside (6ci,7ci,8ci)
spiraeoside

lipidmaps:LMPK12112184
lipidmapsM:LMPK12112184
OIUBYZLTFSLSBY-HMGRVEAOSA-N 		Spiraeoside

CHEBI:75839
chebi:75839
OIUBYZLTFSLSBY-HMGRVEAOSA-N 		quercetin 4'-O-beta-D-glucopyranoside
2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glucopyranoside
Spiraein
Spiraeoside

metacyc.compound:CPD-11685
metacycM:CPD-11685
OIUBYZLTFSLSBY-HMGRVEAOSA-M 		quercetin 4'-O-beta-D-glucoside
QMG

seed.compound:cpd23057
seedM:cpd23057
OIUBYZLTFSLSBY-HMGRVEAOSA-M 		quercetin 4'-O-glucoside

hmdb:HMDB37932
seedM:M_cpd23057 		secondary/obsolete/fantasy identifier