peonidin 3-O-beta-D-galactoside

Properties Image MNX_ID MNXM26734 reference chebi:193098 formula C22H22O11 global charge 0 mol weight 462.407 InChIKey ZZWPMFROUHHAKY-VRRLNDPFSA-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 COC1=CC(C2=[O+]C3=CC(O)=CC([O-])=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O 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/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/t17-,18+,19+,20-,22-/m1/s1 SMILES (mnx) [CH3:1][O:30][C:15]1=[C:12]([OH:25])[CH:3]=[CH:2][C:9]([C:21]2=[O+:31][C:14]3=[CH:6][C:10]([OH:24])=[CH:5][C:13]([O-:26])=[C:11]3[CH:7]=[C:16]2[O:32][C@H:22]2[C@H:20]([OH:29])[C@@H:19]([OH:28])[C@@H:18]([OH:27])[C@@H:17]([CH2:8][OH:23])[O:33]2)=[CH:4]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0