Gymnogrammene

Properties Image MNX_ID MNXM55801 reference lipidmapsM:LMPK12120311 formula C17H16O5 global charge 0 mol weight 300.31 InChIKey NXHNEWMDVUHUCV-VMPITWQZSA-N InChI InChI=1S/C17H16O5/c1-21-12-6-3-11(4-7-12)5-8-14(18)17-15(19)9-13(22-2)10-16(17)20/h3-10,19-20H,1-2H3/b8-5+ SMILES COC1=CC=C(/C=C/C(=O)C2=C(O)C=C(OC)C=C2O)C=C1 MNX internals InChI (mnx) InChI=1/C17H16O5/c1-21-12-6-3-11(4-7-12)5-8-14(18)17-15(19)9-13(22-2)10-16(17)20/h3-10,19-20H,1-2H3/b8-5+ SMILES (mnx) [CH3:1][O:21][C:12]1=[CH:7][CH:4]=[C:11](/[CH:5]=[CH:8]/[C:14]([C:17]2=[C:15]([OH:19])[CH:9]=[C:13]([O:22][CH3:2])[CH:10]=[C:16]2[OH:20])=[O:18])[CH:3]=[CH:6]1

Parent-child relations graph

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