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cyanidin 3-O-beta-D-galactoside

MNXM94735 is deprecated and here replaced by MNXM1370305
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370305 Image of MNXM1370305
referencechebi:77935
formulaC21H19O11
global charge-1
mol weight447.372
InChIKeyRKWHWFONKJEUEF-WVXKDWSHSA-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 MNXM1370305
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)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77935
chebi:77935
RKWHWFONKJEUEF-WVXKDWSHSA-M 		cyanidin 3-O-beta-D-galactoside
2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)chromenium-5,7-diolate
cyanidin 3-O-beta-D-galactoside(1-)

kegg.compound:C08647
keggC:C08647
RKWHWFONKJEUEF-WVXKDWSHSA-O 		Cyanidin 3-O-galactoside
Cyanidin 3-O-beta-D-galactoside
Ideain
hmdb:HMDB0037977
RKWHWFONKJEUEF-WVXKDWSHSA-O 		Cyanidin 3-galactoside
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl beta-D-galactopyranoside chloride
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda⁴-chromen-1-ylium
Cy3-gal
Cyanidin 3-O-b-D-galactoside
Cyanidin 3-O-beta-D-galactopyranoside
Cyanidin 3-O-beta-D-galactoside
Cyanidin 3-O-galactoside
Idaein
Idein
cyanidin 3-O-beta-D-galactoside

lipidmaps:LMPK12010095
lipidmapsM:LMPK12010095
RKWHWFONKJEUEF-WVXKDWSHSA-O 		Idaein
2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium
Cyanidin 3-O-galactoside
Cyanidin 3-galactoside

CHEBI:71515
chebi:71515
RKWHWFONKJEUEF-WVXKDWSHSA-N 		cyanidin 3-O-beta-D-galactoside betaine
2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-7-hydroxychromenium-5-olate

CHEBI:27475
chebi:27475
RKWHWFONKJEUEF-WVXKDWSHSA-O 		cyanidin 3-O-beta-D-galactoside
3-(beta-D-galactopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium
Cyanidin 3-O-galactoside

metacyc.compound:CPD-14998
metacycM:CPD-14998
RKWHWFONKJEUEF-WVXKDWSHSA-N 		cyanidin-3-O-beta-D-galactoside
cyanidin 3-O-beta-D-galactose

hmdb:HMDB37977
chebi:23428
chebi:3973
keggC:M_C08647 		secondary/obsolete/fantasy identifier