clavicipitic acid

Properties Image MNX_ID MNXM47181 reference chebi:23325 formula C16H18N2O2 global charge 0 mol weight 270.332 InChIKey VZMAHZAQMKNJIG-UHFFFAOYSA-N InChI InChI=1S/C16H18N2O2/c1-9(2)6-13-11-4-3-5-12-15(11)10(8-17-12)7-14(18-13)16(19)20/h3-6,8,13-14,17-18H,7H2,1-2H3,(H,19,20) SMILES CC(C)=CC1NC(C(=O)O)CC2=CNC3=C2C1=CC=C3 MNX internals InChI (mnx) InChI=1/C16H18N2O2/c1-9(2)6-13-11-4-3-5-12-15(11)10(8-17-12)7-14(18-13)16(19)20/h3-6,8,13-14,17-18H,7H2,1-2H3,(H,19,20)/t13?,14? SMILES (mnx) [CH3:1][C:9]([CH3:2])=[CH:6][CH:13]1[C:11]2=[C:15]3[C:10](=[CH:8][NH:17][C:12]3=[CH:5][CH:3]=[CH:4]2)[CH2:7][CH:14]([C:16](=[O:19])[OH:20])[NH:18]1

Parent-child relations graph

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