an anthocyanidin-3-O-beta-D-glucoside

Properties Image MNX_ID MNXM738236 reference metacycM:Anthocyanidin-3-O-beta-D-glucosides formula C21H12O7*9 global charge 1 mol weight   InChIKey   InChI   SMILES [*]C1=C([*])C([*])=C(C2=[O+]C3=C([*])C([*])=C([*])C([*])=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C([*])=C1[*] MNX internals InChI (mnx) InChI=1/C30H39O7/c1-12-14(3)18(7)24(19(8)15(12)4)29-22(35-30-27(34)26(33)25(32)23(11-31)36-30)10-21-17(6)13(2)16(5)20(9)28(21)37-29/h10,23,25-27,30-34H,11H2,1-9H3/q+1/t23-,25-,26+,27-,30-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1 SMILES (mnx) [13CH3:1][C:12]1=[C:14]([13CH3:3])[C:18]([13CH3:7])=[C:24]([C:29]2=[C:22]([O:35][C@H:30]3[C@H:27]([OH:34])[C@@H:26]([OH:33])[C@H:25]([OH:32])[C@@H:23]([CH2:11][OH:31])[O:36]3)[CH:10]=[C:21]3[C:17]([13CH3:6])=[C:13]([13CH3:2])[C:16]([13CH3:5])=[C:20]([13CH3:9])[C:28]3=[O+:37]2)[C:19]([13CH3:8])=[C:15]1[13CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0