Quercetin 3,7,3',4'-tetra-O-sulfate

Properties Image MNX_ID MNXM12832 reference chebi:186471 formula C15H10O19S4 global charge 0 mol weight 622.494 InChIKey OMQGPSILOWIPLU-UHFFFAOYSA-N InChI InChI=1S/C15H10O19S4/c16-8-4-7(31-35(18,19)20)5-11-12(8)13(17)15(34-38(27,28)29)14(30-11)6-1-2-9(32-36(21,22)23)10(3-6)33-37(24,25)26/h1-5,16H,(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29) SMILES O=C1C(OS(=O)(=O)O)=C(C2=CC(OS(=O)(=O)O)=C(OS(=O)(=O)O)C=C2)OC2=C1C(O)=CC(OS(=O)(=O)O)=C2 MNX internals InChI (mnx) InChI=1/C15H10O19S4/c16-8-4-7(31-35(18,19)20)5-11-12(8)13(17)15(34-38(27,28)29)14(30-11)6-1-2-9(32-36(21,22)23)10(3-6)33-37(24,25)26/h1-5,16H,(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29) SMILES (mnx) [CH:1]1=[CH:2][C:9]([O:32][S:36]([OH:21])(=[O:22])=[O:23])=[C:10]([O:33][S:37]([OH:24])(=[O:25])=[O:26])[CH:3]=[C:6]1[C:14]1=[C:15]([O:34][S:38]([OH:27])(=[O:28])=[O:29])[C:13](=[O:17])[C:12]2=[C:8]([OH:16])[CH:4]=[C:7]([O:31][S:35]([OH:18])(=[O:19])=[O:20])[CH:5]=[C:11]2[O:30]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0