an anthocyanidin 3-O-beta-D-sambubioside

Properties Image MNX_ID MNXM741691 reference chebi:77945 formula C26H26O14*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*]C1=CC(C2=[O+]C3=C(C=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([O-])=CC(O)=C3)=CC([*])=C1O MNX internals InChI (mnx) InChI=1/C28H32O14/c1-10-3-12(4-11(2)20(10)33)25-18(7-14-15(31)5-13(30)6-17(14)39-25)40-28-26(23(36)22(35)19(8-29)41-28)42-27-24(37)21(34)16(32)9-38-27/h3-7,16,19,21-24,26-29,32,34-37H,8-9H2,1-2H3,(H2-,30,31,33)/t16-,19-,21+,22-,23+,24-,26-,27+,28-/m1/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C:10]1=[CH:3][C:12]([C:25]2=[O+:39][C:17]3=[CH:6][C:13]([OH:30])=[CH:5][C:15]([OH:31])=[C:14]3[CH:7]=[C:18]2[O:40][C@H:28]2[C@H:26]([O:42][C@H:27]3[C@H:24]([OH:37])[C@@H:21]([OH:34])[C@H:16]([OH:32])[CH2:9][O:38]3)[C@@H:23]([OH:36])[C@H:22]([OH:35])[C@@H:19]([CH2:8][OH:29])[O:41]2)=[CH:4][C:11]([13CH3:2])=[C:20]1[O-:33]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1