KEGG:C09691 Isocaryophyllene ISISHOST03240423232D 1 1.00000 0.00000 8733 17 18 0 1 0 999 V2000 14.9310 -13.1207 0.0000 C 0 0 3 0 0 0 0 0 0 14.9310 -13.9635 0.0000 C 0 0 0 0 0 0 0 0 0 14.3227 -12.5193 0.0000 C 0 0 0 0 0 0 0 0 0 14.1089 -13.3345 0.0000 C 0 0 0 0 0 0 0 0 0 15.7704 -12.2703 0.0000 H 0 0 0 0 0 0 0 0 0 15.6496 -14.5620 0.0000 H 0 0 0 0 0 0 0 0 0 16.3208 -12.4694 0.0000 C 0 0 0 0 0 0 0 0 0 17.1538 -12.3314 0.0000 C 0 0 0 0 0 0 0 0 0 17.8745 -12.7543 0.0000 C 0 0 0 0 0 0 0 0 0 15.7806 -13.1130 0.0000 C 0 0 2 0 0 0 0 0 0 15.7773 -13.9600 0.0000 C 0 0 1 0 0 0 0 0 0 16.3090 -14.6013 0.0000 C 0 0 0 0 0 0 0 0 0 17.1352 -14.7504 0.0000 C 0 0 0 0 0 0 0 0 0 18.1557 -13.5475 0.0000 C 0 0 0 0 0 0 0 0 0 17.8601 -14.3367 0.0000 C 0 0 0 0 0 0 0 0 0 15.8897 -15.3226 0.0000 C 0 0 0 0 0 0 0 0 0 18.5194 -12.2212 0.0000 C 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 2 1 0 0 0 10 5 1 1 0 0 11 6 1 6 0 0 7 8 1 0 0 0 8 9 1 0 0 0 7 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 14 9 2 0 0 0 14 15 1 0 0 0 15 13 1 0 0 0 10 1 1 0 0 0 12 16 2 0 0 0 11 2 1 0 0 0 9 17 1 0 0 0 M END