Gossypetin 8-glucuronide 3-glucoside

Properties Image MNX_ID MNXM126283 reference chebi:176260 formula C27H28O19 global charge 0 mol weight 656.502 InChIKey YGWFDAMCHDILHX-UHFFFAOYSA-N InChI InChI=1S/C27H28O19/c28-5-11-13(33)15(35)18(38)26(42-11)45-23-14(34)12-9(31)4-10(32)21(22(12)43-20(23)6-1-2-7(29)8(30)3-6)44-27-19(39)16(36)17(37)24(46-27)25(40)41/h1-4,11,13,15-19,24,26-33,35-39H,5H2,(H,40,41) SMILES O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(C2=CC(O)=C(O)C=C2)OC2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)=CC(O)=C12 MNX internals InChI (mnx) InChI=1/C27H28O19/c28-5-11-13(33)15(35)18(38)26(42-11)45-23-14(34)12-9(31)4-10(32)21(22(12)43-20(23)6-1-2-7(29)8(30)3-6)44-27-19(39)16(36)17(37)24(46-27)25(40)41/h1-4,11,13,15-19,24,26-33,35-39H,5H2,(H,40,41)/t11?,13?,15?,16?,17?,18?,19?,24?,26?,27? SMILES (mnx) [CH:1]1=[CH:2][C:7]([OH:29])=[C:8]([OH:30])[CH:3]=[C:6]1[C:20]1=[C:23]([O:45][CH:26]2[CH:18]([OH:38])[CH:15]([OH:35])[CH:13]([OH:33])[CH:11]([CH2:5][OH:28])[O:42]2)[C:14](=[O:34])[C:12]2=[C:22]([C:21]([O:44][CH:27]3[CH:19]([OH:39])[CH:16]([OH:36])[CH:17]([OH:37])[CH:24]([C:25](=[O:40])[OH:41])[O:46]3)=[C:10]([OH:32])[CH:4]=[C:9]2[OH:31])[O:43]1

Parent-child relations graph

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