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malvidin 3-O-beta-D-glucoside

MNXM1107592 is deprecated and here replaced by MNXM1364368
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364368 Image of MNXM1364368
referencechebi:144782
formulaC23H24O12
global charge0
mol weight492.433
InChIKeyPXUQTDZNOHRWLI-OXUVVOBNSA-N
InChIInChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/t17-,19-,20+,21-,23-/m1/s1
SMILESCOC1=CC(C2=[O+]C3=CC(O)=CC([O-])=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1O
MNX internals
InChI (mnx)InChI=1/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/t17-,19-,20+,21-,23-/m1/s1 Image of MNXM1364368
SMILES (mnx)[CH3:1][O:31][C:14]1=[C:18]([O-:27])[C:15]([O:32][CH3:2])=[CH:4][C:9]([C:22]2=[O+:33][C:13]3=[CH:6][C:10]([OH:25])=[CH:5][C:12]([OH:26])=[C:11]3[CH:7]=[C:16]2[O:34][C@H:23]2[C@H:21]([OH:30])[C@@H:20]([OH:29])[C@H:19]([OH:28])[C@@H:17]([CH2:8][OH:24])[O:35]2)=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:144782
chebi:144782
PXUQTDZNOHRWLI-OXUVVOBNSA-N 		malvidin 3-O-beta-D-glucoside
3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-5-olate
malvidin 3-O-beta-D-glucoside betaine

kegg.compound:C12140
keggC:C12140
PXUQTDZNOHRWLI-OXUVVOBNSA-O 		Malvidin 3-O-glucoside
Enin
Malvidin-3-glucoside
hmdb:HMDB0030777
PXUQTDZNOHRWLI-OXUVVOBNSA-O 		Malvidin 3-glucoside
(3'-O-Methyl-(3)H)malvidin-3-glucoside
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
Enin
Enoside
Ligulin
Malvidin 3-O-b-D-glucoside
Malvidin 3-O-beta-D-glucopyranoside
Malvidin 3-O-beta-D-glucoside
Malvidin 3-O-glucoside
Malvidin-3-glucoside
Oenin

lipidmaps:LMPK12010372
lipidmapsM:LMPK12010372
PXUQTDZNOHRWLI-OXUVVOBNSA-O 		Oenin
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(beta-D-glucopyranosyloxy)-1-benzopyrylium
Malvidin 3-O-beta-D-glucopyranoside

metacyc.compound:CPD-15196
metacycM:CPD-15196
PXUQTDZNOHRWLI-OXUVVOBNSA-N 		malvidin 3-O-beta-D-glucoside

CHEBI:31799
chebi:31799
PXUQTDZNOHRWLI-OXUVVOBNSA-O 		malvidin 3-O-beta-D-glucoside
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-3-yl beta-D-glucopyranoside
Enin
Malvidin 3-O-glucoside
Malvidin-3-glucoside

hmdb:HMDB30777
keggC:M_C12140 		secondary/obsolete/fantasy identifier