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delphinidin 3-O-beta-D-glucoside

MNXM1474 is deprecated and here replaced by MNXM1368204
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368204 Image of MNXM1368204
referencechebi:144776
formulaC21H20O12
global charge0
mol weight464.379
InChIKeyXENHPQQLDPAYIJ-PEVLUNPASA-N
InChIInChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/t15-,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(O)=C(O)C(O)=C3)=[O+]C2=CC(O)=C1
MNX internals
InChI (mnx)InChI=1/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/t15-,17-,18+,19-,21-/m1/s1 Image of MNXM1368204
SMILES (mnx)[CH:1]1=[C:7]([C:20]2=[O+:31][C:13]3=[CH:4][C:8]([OH:23])=[CH:3][C:10]([OH:24])=[C:9]3[CH:5]=[C:14]2[O:32][C@H:21]2[C@H:19]([OH:30])[C@@H:18]([OH:29])[C@H:17]([OH:28])[C@@H:15]([CH2:6][OH:22])[O:33]2)[CH:2]=[C:12]([OH:26])[C:16]([O-:27])=[C:11]1[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)17
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:144776
chebi:144776
XENHPQQLDPAYIJ-PEVLUNPASA-N 		delphinidin 3-O-beta-D-glucoside
3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-5-olate
delphinidin 3-O-beta-D-glucoside betaine

kegg.compound:C12138
keggC:C12138
XENHPQQLDPAYIJ-PEVLUNPASA-O 		Delphinidin 3-O-glucoside
Delphinidin 3-O-beta-D-glucoside
Delphinidin 3-glucoside
Mirtillin

sabiork.compound:14174
sabiorkM:14174
XENHPQQLDPAYIJ-PEVLUNPASA-O 		Delphinidin 3-O-glucoside
Delphinidin 3-glucoside
Mirtillin
hmdb:HMDB0037997
XENHPQQLDPAYIJ-PEVLUNPASA-O 		Delphinidin 3-glucoside
5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium
Delfinidin 3-O-b-D-glucoside
Delfinidin 3-O-beta-D-glucoside
Delphinidin 3-O-b-D-glucoside
Delphinidin 3-O-beta-D-glucopyranoside
Delphinidin 3-O-beta-D-glucoside
Delphinidin 3-O-beta-glucoside
Delphinidin 3-O-glucopyranoside
Delphinidin 3-O-glucoside
Delphinidin 3-monoglucoside
Delphinidin-3-glucoside
Delphinidol 3-glucoside
Mirtillin
Myrtillin
Myrtillin a

lipidmaps:LMPK12010278
lipidmapsM:LMPK12010278
XENHPQQLDPAYIJ-PEVLUNPASA-O 		Myrtillin
2-(3,4,5-Trihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium
Delphinidin 3-O-beta-D-glucopyranoside
Delphinidin 3-glucoside
Delphinin

CHEBI:31463
chebi:31463
XENHPQQLDPAYIJ-PEVLUNPASA-O 		delphinidin 3-O-beta-D-glucoside
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl beta-D-glucopyranoside
Delphinidin 3-O-beta-D-glucoside
Delphinidin 3-O-glucoside
Delphinidin 3-glucoside
delfinidin 3-O-beta-D-glucoside

metacyc.compound:CPD-7117
metacycM:CPD-7117
XENHPQQLDPAYIJ-PEVLUNPASA-M 		delphinidin-3-O-beta-D-glucoside
delfinidin-3-O-glucoside

hmdb:HMDB37997
keggC:M_C12138 		secondary/obsolete/fantasy identifier