Axillarin 7-sulfate

Properties Image MNX_ID MNXM43080 reference chebi:188021 formula C17H14O11S global charge 0 mol weight 426.355 InChIKey AYBWPCJLKMIOED-UHFFFAOYSA-N InChI InChI=1S/C17H14O11S/c1-25-16-11(28-29(22,23)24)6-10-12(13(16)20)14(21)17(26-2)15(27-10)7-3-4-8(18)9(19)5-7/h3-6,18-20H,1-2H3,(H,22,23,24) SMILES COC1=C(O)C2=C(C=C1OS(=O)(=O)O)OC(C1=CC(O)=C(O)C=C1)=C(OC)C2=O MNX internals InChI (mnx) InChI=1/C17H14O11S/c1-25-16-11(28-29(22,23)24)6-10-12(13(16)20)14(21)17(26-2)15(27-10)7-3-4-8(18)9(19)5-7/h3-6,18-20H,1-2H3,(H,22,23,24) SMILES (mnx) [CH3:1][O:25][C:16]1=[C:11]([O:28][S:29]([OH:22])(=[O:23])=[O:24])[CH:6]=[C:10]2[C:12](=[C:13]1[OH:20])[C:14](=[O:21])[C:17]([O:26][CH3:2])=[C:15]([C:7]1=[CH:5][C:9]([OH:19])=[C:8]([OH:18])[CH:4]=[CH:3]1)[O:27]2

Parent-child relations graph

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