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cyanidin 3-O-beta-D-glucoside

MNXM726986 is deprecated and here replaced by MNXM1371015
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371015 Image of MNXM1371015
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-]C1=CC2=[O+]C(C3=CC(O)=C(O)C=C3)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2C([O-])=C1
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/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17-,18+,19-,21-/m1/s1 Image of MNXM1371015
SMILES (mnx)[CH:1]1=[CH:2][C:11]([OH:24])=[C:13]([O-:26])[CH:3]=[C:8]1[C:20]1=[O+:30][C:14]2=[CH:5][C:9]([OH:23])=[CH:4][C:12]([OH:25])=[C:10]2[CH:6]=[C:15]1[O:31][C@H:21]1[C@H:19]([OH:29])[C@@H:18]([OH:28])[C@H:17]([OH:27])[C@@H:16]([CH2:7][OH:22])[O:32]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 1
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-)

lipidmaps:LMPK12010110
lipidmapsM:LMPK12010110
RKWHWFONKJEUEF-GQUPQBGVSA-O 		Chrysanthemin
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium
Asterin
Cyanidin 3-O-glucoside
Cyanidin 3-glucoside
Kuromanin

sabiork.compound:10696
sabiorkM:10696
RKWHWFONKJEUEF-GQUPQBGVSA-O 		Cyanidin 3-O-glucoside

kegg.compound:C08604
keggC:C08604
RKWHWFONKJEUEF-GQUPQBGVSA-O 		Cyanidin 3-O-glucoside
Chrysanthemin
Cyanidin 3-O-beta-D-glucoside
hmdb:HMDB0030684
RKWHWFONKJEUEF-GQUPQBGVSA-O 		Cyanidin 3-glucoside
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
3-(beta-D-Glucopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium chloride
3-O-(beta-D-Glucopyranosyl)cyanidin
Asterin
Chrysanthemin
Chrysanthenin
Chrysontemin
Cyanidin 3-O-b-D-glucoside
Cyanidin 3-O-beta-D-glucopyranoside
Cyanidin 3-O-beta-D-glucoside
Cyanidin 3-O-beta-glucopyranoside
Cyanidin 3-O-beta-glucoside
Cyanidin 3-O-glucopyranoside
Cyanidin 3-O-glucoside
Cyanidin 3-O-glucoside chloride
Cyanidin 3-beta-D-O-glucoside
Cyanidin 3-beta-D-glucopyranoside
Cyanidin 3-beta-O-glucoside
Cyanidin 3-beta-glucopyranoside
Cyanidin 3-beta-glucoside
Cyanidin 3-beta-glucoside cation
Cyanidin 3-glucoside chloride
Cyanidin 3-monoglucoside
Cyanidol 3-glucoside
Glucocyanidin
Kuromamine
Kuromanin
Kuromanine

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

CHEBI:28426
chebi:28426
RKWHWFONKJEUEF-GQUPQBGVSA-O 		cyanidin 3-O-beta-D-glucoside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl beta-D-glucopyranoside
Cyanidin 3-O-beta-D-glucoside
Cyanidin 3-O-glucoside

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

hmdb:HMDB30684
chebi:23429
chebi:3974
keggC:M_C08604 		secondary/obsolete/fantasy identifier