pisonivanol

Properties Image MNX_ID MNXM108026 reference chebi:67365 formula C17H16O6 global charge 0 mol weight 316.309 InChIKey HERMXACAVKAURU-LSDHHAIUSA-N InChI InChI=1S/C17H16O6/c1-21-16-10(18)8-11-12(17(16)22-2)13(19)14(20)15(23-11)9-6-4-3-5-7-9/h3-8,14-15,18,20H,1-2H3/t14-,15+/m0/s1 SMILES COC1=C(OC)C2=C(C=C1O)O[C@H](C1=CC=CC=C1)[C@@H](O)C2=O MNX internals InChI (mnx) InChI=1/C17H16O6/c1-21-16-10(18)8-11-12(17(16)22-2)13(19)14(20)15(23-11)9-6-4-3-5-7-9/h3-8,14-15,18,20H,1-2H3/t14-,15+/m0/s1 SMILES (mnx) [CH3:1][O:21][C:16]1=[C:17]([O:22][CH3:2])[C:12]2=[C:11]([CH:8]=[C:10]1[OH:18])[O:23][C@H:15]([C:9]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C@@H:14]([OH:20])[C:13]2=[O:19]

Parent-child relations graph

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