gossypetin 7-O-glucoside

Properties Image MNX_ID MNXM526090 reference metacycM:CPD-16762 formula C21H19O13 global charge -1 mol weight 479.37 InChIKey ATRBFJXIWFCIMW-ZGNDCXKCSA-M InChI InChI=1S/C21H20O13/c22-5-11-13(26)16(29)18(31)21(33-11)32-10-4-9(25)12-15(28)17(30)19(34-20(12)14(10)27)6-1-2-7(23)8(24)3-6/h1-4,11,13,16,18,21-27,29-31H,5H2/p-1/t11-,13-,16+,18-,21-/m1/s1 SMILES O=C1C([O-])=C(C2=CC=C(O)C(O)=C2)OC2=C(O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C12 MNX internals InChI (mnx) InChI=1/C21H20O13/c22-5-11-13(26)16(29)18(31)21(33-11)32-10-4-9(25)12-15(28)17(30)19(34-20(12)14(10)27)6-1-2-7(23)8(24)3-6/h1-4,11,13,16,18,21-27,29-31H,5H2/t11-,13-,16+,18-,21-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:7]([OH:23])=[C:8]([OH:24])[CH:3]=[C:6]1[C:19]1=[C:17]([OH:30])[C:15](=[O:28])[C:12]2=[C:20]([C:14]([OH:27])=[C:10]([O:32][C@H:21]3[C@H:18]([OH:31])[C@@H:16]([OH:29])[C@H:13]([OH:26])[C@@H:11]([CH2:5][OH:22])[O:33]3)[CH:4]=[C:9]2[OH:25])[O:34]1

Parent-child relations graph

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