RESIDUE 3IT 22 CONECT CAB 3 CAI H1 H2 CONECT CAI 3 CAB CAA CAK CONECT CAA 4 CAI H5 H6 H7 CONECT CAK 3 CAI CAG CAJ CONECT CAG 3 CAK CAE H8 CONECT CAE 3 CAG CAF H9 CONECT CAF 3 CAE CAH H10 CONECT CAH 3 CAF CAL H11 CONECT CAL 3 CAH OAC CAJ CONECT OAC 1 CAL CONECT CAJ 3 CAK CAL OAD CONECT OAD 2 CAJ H12 CONECT H1 1 CAB CONECT H2 1 CAB CONECT H5 1 CAA CONECT H6 1 CAA CONECT H7 1 CAA CONECT H8 1 CAG CONECT H9 1 CAE CONECT H10 1 CAF CONECT H11 1 CAH CONECT H12 1 OAD END HET 3IT 22 HETSYN 3IT 3-isopropenyl-tropolone HETNAM 3IT 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-on HETNAM 2 3IT e FORMUL 3IT C10 H10 O2