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cyanidin 3-O-beta-D-glucoside

PropertiesImage
MNX_IDMNXM1583754 Image of MNXM1583754
referencechebi:77857
formulaC21H19O11
global charge-1
mol weight447.372
InChIKeyRKWHWFONKJEUEF-GQUPQBGVSA-M
InChIInChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p-1/t16-,17-,18+,19-,21-/m1/s1
SMILES[O-]c1cc([O-])c2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)[o+]c2c1
MNX internals
InChI (mnx)InChI=1/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-24,26-29H,7H2/t16-,17-,18+,19-,21-/m1/s1 Image of MNXM1583754
SMILES (mnx)[CH2:1]=[c:2]1[c:3]2[c:4]([cH:8][c:7]([CH3:9])[cH:6]1)[CH2:5][C:12]([C:14]1=[CH:16][CH:20]=[O:25]([OH:30])[C:21]([OH:26])=[CH:17]1)=[C:11]([CH2:13][C@@H:15]1[CH2:18][O@:22]([O:28][OH:32])[O@@:27]([OH:31])[O@@:23]([OH:29])[C@H:19]1[OH:24])[CH:10]=2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)26
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77857
chebi:77857
RKWHWFONKJEUEF-GQUPQBGVSA-M 		cyanidin 3-O-beta-D-glucoside
2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)chromenium-5,7-diolate
cyanidin 3-O-beta-D-glucoside(1-)

seed.compound:cpd05511
seedM:cpd05511
KBENCCXELYTLKU-GQUPQBGVSA-N 		Cyanidin 3-O-glucoside
Chrysanthemin
Cyanidin 3-O-beta-D-glucoside
cyanidin 3-O-beta-D-glucopyranoside
cyanidin-3-O-beta-D-glucoside
cyanidin-3-O-glucoside
kuromanin

CHEBI:61318
chebi:61318
RKWHWFONKJEUEF-GQUPQBGVSA-N 		cyanidin 3-O-beta-D-glucoside betaine
2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxychromenium-5-olate

metacyc.compound:CPD1F-766
metacycM:CPD1F-766
RKWHWFONKJEUEF-GQUPQBGVSA-M 		cyanidin-3-O-beta-D-glucoside
Chrysanthemin
cyanidin 3-O-beta-D-glucopyranoside
cyanidin-3-O-glucoside
kuromanin

seedM:M_cpd05511 		secondary/obsolete/fantasy identifier