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pelargonidin 3-O-beta-D-glucoside

PropertiesImage
MNX_IDMNXM1368463 Image of MNXM1368463
referencechebi:144778
formulaC21H20O10
global charge0
mol weight432.381
InChIKeyABVCUBUIXWJYSE-GQUPQBGVSA-N
InChIInChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/t16-,17-,18+,19-,21-/m1/s1
SMILES[O-]C1=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O)C=C3)=[O+]C2=CC(O)=C1
MNX internals
InChI (mnx)InChI=1/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/t16-,17-,18+,19-,21-/m1/s1 Image of MNXM1368463
SMILES (mnx)[CH:1]1=[CH:3][C:10]([OH:23])=[CH:4][CH:2]=[C:9]1[C:20]1=[O+:29][C:14]2=[CH:6][C:11]([OH:24])=[CH:5][C:13]([O-:25])=[C:12]2[CH:7]=[C:15]1[O:30][C@H:21]1[C@H:19]([OH:28])[C@@H:18]([OH:27])[C@H:17]([OH:26])[C@@H:16]([CH2:8][OH:22])[O:31]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)14
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:144778
chebi:144778
ABVCUBUIXWJYSE-GQUPQBGVSA-N 		pelargonidin 3-O-beta-D-glucoside
3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-5-olate
pelargonidin 3-O-beta-D-glucoside betaine

lipidmaps:LMPK12010016
lipidmapsM:LMPK12010016
ABVCUBUIXWJYSE-GQUPQBGVSA-O 		Callistephin
3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium
Pelargonidin 3-O-glucoside

kegg.compound:C12137
keggC:C12137
ABVCUBUIXWJYSE-GQUPQBGVSA-O 		Pelargonidin 3-O-glucoside
Pelargonidin 3-O-beta-D-glucoside
Pelargonidin 3-glucoside
hmdb:HMDB0240551
ABVCUBUIXWJYSE-GQUPQBGVSA-O 		Pelargonidin 3-glucoside
3-(b-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
3-(b-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride
3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium
3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride
3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium
3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
Callistephin
Pelargonidin 3-O-b-D-glucoside
Pelargonidin 3-O-beta-D-glucoside
Pelargonidin 3-O-beta-glucopyranoside
Pelargonidin 3-O-glucoside
Pelargonidin-3-glu
Pelargonidin-3-glucopyranoside
Pelargonidin-3-glucoside

CHEBI:31967
chebi:31967
ABVCUBUIXWJYSE-GQUPQBGVSA-O 		pelargonidin 3-O-beta-D-glucoside
3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride
3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4'-hydroxyflavylium
Pelargonidin 3-O-beta-D-glucoside
Pelargonidin 3-O-glucoside
Pelargonidin 3-glucoside
Pelargonidin-3-glucopyranoside
Pelargonidin-3-glucoside
callistephin

metacyc.compound:PELARGONIDIN-3-GLUCOSIDE-CMPD
metacycM:PELARGONIDIN-3-GLUCOSIDE-CMPD
ABVCUBUIXWJYSE-GQUPQBGVSA-N 		pelargonidin-3-O-beta-D-glucoside
3-(beta-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
callistephin

keggC:M_C12137 		secondary/obsolete/fantasy identifier