Search MNXref
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

pelargonidin 3-O-beta-D-galactoside betaine

PropertiesImage
MNX_IDMNXM1585748 Image of MNXM1585748
referencechebi:193099
formulaC21H20O10
global charge0
mol weight432.381
InChIKeyABVCUBUIXWJYSE-WVXKDWSHSA-N
InChIInChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/t16-,17+,18+,19-,21-/m1/s1
SMILES[O-]c1cc(O)cc2[o+]c(-c3ccc(O)cc3)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc12
MNX internals
InChI (mnx)InChI=1/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-24,26-28H,8H2/t16-,17+,18+,19-,21-/m1/s1 Image of MNXM1585748
SMILES (mnx)[cH:1]1[cH:3][c:10]([OH:23])[cH:4][cH:2][c:9]1-[c:20]1[c:15]([O:30][C@H:21]2[C@H:19]([OH:28])[C@@H:18]([OH:27])[C@@H:17]([OH:26])[C@@H:16]([CH2:8][OH:22])[O:31]2)[cH:7][c:12]2[c:13](=[O:25])[cH:5][c:11]([OH:24])[cH:6][c:14]-2[o:29]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:193099
chebi:193099
ABVCUBUIXWJYSE-WVXKDWSHSA-N 		pelargonidin 3-O-beta-D-galactoside betaine