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Cyanidin 5-O-glucoside

MNXM5694 is deprecated and here replaced by MNXM1370293
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370293 Image of MNXM1370293
referencechebi:80434
formulaC21H21O11
global charge1
mol weight449.388
InChIKeyPWORRIQTGXEXBH-GQUPQBGVSA-O
InChIInChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)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
SMILESOC[C@H]1O[C@@H](OC2=C3C=C(O)C(C4=CC(O)=C(O)C=C4)=[O+]C3=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)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 MNXM1370293
SMILES (mnx)[CH:1]1=[CH:2][C:11]([OH:24])=[C:12]([OH:25])[CH:3]=[C:8]1[C:20]1=[O+:30][C:14]2=[C:10]([CH:6]=[C:13]1[O-:26])[C:15]([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)=[CH:5][C:9]([OH:23])=[CH:4]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80434
chebi:80434
kegg.compound:C16298
keggC:C16298
PWORRIQTGXEXBH-GQUPQBGVSA-O 		Cyanidin 5-O-glucoside

metacyc.compound:CPD-7386
metacycM:CPD-7386
PWORRIQTGXEXBH-GQUPQBGVSA-M 		cyanidin 5-O-beta-D-glucoside

keggC:M_C16298 		secondary/obsolete/fantasy identifier