Chrysophanein

Properties Image MNX_ID MNXM130085 reference chebi:191585 formula C21H20O9 global charge 0 mol weight 416.382 InChIKey QKPDYSSHOSPOKH-JNHRPPPUSA-N InChI InChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1 SMILES CC1=CC2=C(C(=O)C3=C(C=CC=C3O)C2=O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1 MNX internals InChI (mnx) InChI=1/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1 SMILES (mnx) [CH3:1][C:8]1=[CH:6][C:12]([O:29][C@H:21]2[C@H:20]([OH:28])[C@@H:19]([OH:27])[C@H:17]([OH:25])[C@@H:13]([CH2:7][OH:22])[O:30]2)=[C:15]2[C:10](=[CH:5]1)[C:16](=[O:24])[C:9]1=[C:14]([C:11]([OH:23])=[CH:4][CH:2]=[CH:3]1)[C:18]2=[O:26]

Parent-child relations graph

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