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peonidin 3-O-beta-D-glucoside betaine

Properties Image MNX_ID MNXM1584075 reference chebi:144780 formula C22H22O11 global charge 0 mol weight 462.407 InChIKey ZZWPMFROUHHAKY-OUUKCGNVSA-N InChI InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/t17-,18-,19+,20-,22-/m1/s1 SMILES COc1cc(-c2[o+]c3cc(O)cc([O-])c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O MNX internals InChI (mnx) InChI=1/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-25,27-29H,8H2,1H3/t17-,18-,19+,20-,22-/m1/s1 SMILES (mnx) [CH3:1][O:30][c:15]1[cH:4][c:9](-[c:21]2[c:16]([O:32][C@H:22]3[C@H:20]([OH:29])[C@@H:19]([OH:28])[C@H:18]([OH:27])[C@@H:17]([CH2:8][OH:23])[O:33]3)[cH:7][c:11]3[c:13](=[O:26])[cH:5][c:10]([OH:24])[cH:6][c:14]-3[o:31]2)[cH:2][cH:3][c:12]1[OH:25]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:144780 chebi:144780 ZZWPMFROUHHAKY-OUUKCGNVSA-N	peonidin 3-O-beta-D-glucoside betaine 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-5-olate peonidin 3-O-beta-D-glucoside
seed.compound:cpd08923 seedM:cpd08923 UVVASRPYKPUSTA-OUUKCGNVSA-N	Peonidin-3-glucoside Peonidin 3-O-glucoside peonidin 3-O-glucoside peonidin 3-glucoside peonidin-3-O-beta-D-glucoside
seedM:M_cpd08923	secondary/obsolete/fantasy identifier