Pinobanksin 3-O-acetate

Properties Image MNX_ID MNXM12699 reference chebi:80490 formula C17H14O6 global charge 0 mol weight 314.293 InChIKey BJYHZSNSMVEQEH-SJORKVTESA-N InChI InChI=1S/C17H14O6/c1-9(18)22-17-15(21)14-12(20)7-11(19)8-13(14)23-16(17)10-5-3-2-4-6-10/h2-8,16-17,19-20H,1H3/t16-,17+/m1/s1 SMILES CC(=O)O[C@H]1C(=O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C17H14O6/c1-9(18)22-17-15(21)14-12(20)7-11(19)8-13(14)23-16(17)10-5-3-2-4-6-10/h2-8,16-17,19-20H,1H3/t16-,17+/m1/s1 SMILES (mnx) [CH3:1][C:9](=[O:18])[O:22][C@H:17]1[C:15](=[O:21])[C:14]2=[C:12]([OH:20])[CH:7]=[C:11]([OH:19])[CH:8]=[C:13]2[O:23][C@@H:16]1[C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0