an anthocyanidin 3-O-beta-D-sambubioside

Properties Image MNX_ID MNXM741692 reference metacycM:Anthocyanidin-3-O-sambubiosides formula C26H20O11*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@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C([*])=C1[*] MNX internals InChI (mnx) InChI=1/C35H47O11/c1-13-15(3)19(7)26(20(8)16(13)4)32-24(10-22-18(6)14(2)17(5)21(9)31(22)45-32)43-35-33(29(40)28(39)25(11-36)44-35)46-34-30(41)27(38)23(37)12-42-34/h10,23,25,27-30,33-41H,11-12H2,1-9H3/q+1/t23-,25-,27+,28-,29+,30-,33-,34+,35-/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:13]1=[C:15]([13CH3:3])[C:19]([13CH3:7])=[C:26]([C:32]2=[C:24]([O:43][C@H:35]3[C@H:33]([O:46][C@H:34]4[C@H:30]([OH:41])[C@@H:27]([OH:38])[C@H:23]([OH:37])[CH2:12][O:42]4)[C@@H:29]([OH:40])[C@H:28]([OH:39])[C@@H:25]([CH2:11][OH:36])[O:44]3)[CH:10]=[C:22]3[C:18]([13CH3:6])=[C:14]([13CH3:2])[C:17]([13CH3:5])=[C:21]([13CH3:9])[C:31]3=[O+:45]2)[C:20]([13CH3:8])=[C:16]1[13CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0