6-Hydroxykaempferol 7,4'-dimethyl ether 3-sulfate

Properties Image MNX_ID MNXM38745 reference chebi:185696 formula C17H14O10S global charge 0 mol weight 410.356 InChIKey NQHBTXFVHIYSTF-UHFFFAOYSA-N InChI InChI=1S/C17H14O10S/c1-24-9-5-3-8(4-6-9)16-17(27-28(21,22)23)15(20)12-10(26-16)7-11(25-2)13(18)14(12)19/h3-7,18-19H,1-2H3,(H,21,22,23) SMILES COC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(C=C(OC)C(O)=C3O)O2)C=C1 MNX internals InChI (mnx) InChI=1/C17H14O10S/c1-24-9-5-3-8(4-6-9)16-17(27-28(21,22)23)15(20)12-10(26-16)7-11(25-2)13(18)14(12)19/h3-7,18-19H,1-2H3,(H,21,22,23) SMILES (mnx) [CH3:1][O:24][C:9]1=[CH:6][CH:4]=[C:8]([C:16]2=[C:17]([O:27][S:28]([OH:21])(=[O:22])=[O:23])[C:15](=[O:20])[C:12]3=[C:14]([OH:19])[C:13]([OH:18])=[C:11]([O:25][CH3:2])[CH:7]=[C:10]3[O:26]2)[CH:3]=[CH:5]1

Parent-child relations graph

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