KEGG:C09113 Ingenol 3,20-dibenzoate ISISHOST03240423212D 1 1.00000 0.00000 8153 43 48 0 1 0 999 V2000 15.5357 -14.9578 0.0000 C 0 0 2 0 0 0 0 0 0 15.3460 -15.7620 0.0000 C 0 0 1 0 0 0 0 0 0 16.2880 -14.5984 0.0000 C 0 0 0 0 0 0 0 0 0 15.5322 -14.1191 0.0000 C 0 0 1 0 0 0 0 0 0 14.8246 -14.5191 0.0000 C 0 0 0 0 0 0 0 0 0 14.5142 -15.8309 0.0000 C 0 0 2 0 0 0 0 0 0 15.8495 -16.4171 0.0000 C 0 0 1 0 0 0 0 0 0 15.2107 -16.5027 0.0000 O 0 0 0 0 0 0 0 0 0 17.0371 -14.9716 0.0000 C 0 0 2 0 0 0 0 0 0 16.2949 -13.8465 0.0000 O 0 0 0 0 0 0 0 0 0 15.9467 -13.3943 0.0000 C 0 0 0 0 0 0 0 0 0 14.9349 -13.5253 0.0000 C 0 0 0 0 0 0 0 0 0 14.1893 -15.0612 0.0000 C 0 0 0 0 0 0 0 0 0 14.5073 -16.6626 0.0000 O 0 0 0 0 0 0 0 0 0 16.6846 -16.4206 0.0000 C 0 0 0 0 0 0 0 0 0 15.8426 -17.2454 0.0000 O 0 0 0 0 0 0 0 0 0 17.0302 -14.1363 0.0000 C 0 0 1 0 0 0 0 0 0 17.2164 -15.7861 0.0000 C 0 0 0 0 0 0 0 0 0 16.6053 -13.4115 0.0000 C 0 0 2 0 0 0 0 0 0 13.3818 -14.8605 0.0000 C 0 0 0 0 0 0 0 0 0 13.7824 -17.0695 0.0000 C 0 0 0 0 0 0 0 0 0 17.4026 -16.8419 0.0000 C 0 0 0 0 0 0 0 0 0 17.4405 -13.4046 0.0000 C 0 0 3 0 0 0 0 0 0 13.0645 -16.6592 0.0000 C 0 0 0 0 0 0 0 0 0 13.7790 -17.9047 0.0000 O 0 0 0 0 0 0 0 0 0 18.1240 -16.4206 0.0000 O 0 0 0 0 0 0 0 0 0 17.8551 -12.6797 0.0000 C 0 0 0 0 0 0 0 0 0 18.2723 -13.4046 0.0000 C 0 0 0 0 0 0 0 0 0 18.8454 -16.8419 0.0000 C 0 0 0 0 0 0 0 0 0 19.5634 -16.4206 0.0000 C 0 0 0 0 0 0 0 0 0 18.8385 -17.6737 0.0000 O 0 0 0 0 0 0 0 0 0 17.8585 -14.1329 0.0000 H 0 0 0 0 0 0 0 0 0 16.8198 -12.6039 0.0000 H 0 0 0 0 0 0 0 0 0 13.0651 -15.8327 0.0000 C 0 0 0 0 0 0 0 0 0 12.3471 -15.4183 0.0000 C 0 0 0 0 0 0 0 0 0 11.6307 -15.8354 0.0000 C 0 0 0 0 0 0 0 0 0 11.6323 -16.6629 0.0000 C 0 0 0 0 0 0 0 0 0 12.3502 -17.0732 0.0000 C 0 0 0 0 0 0 0 0 0 20.2815 -16.8330 0.0000 C 0 0 0 0 0 0 0 0 0 20.9995 -16.4117 0.0000 C 0 0 0 0 0 0 0 0 0 20.9951 -15.5807 0.0000 C 0 0 0 0 0 0 0 0 0 20.2727 -15.1712 0.0000 C 0 0 0 0 0 0 0 0 0 19.5548 -15.5884 0.0000 C 0 0 0 0 0 0 0 0 0 4 11 1 0 0 0 4 12 1 6 0 0 5 13 2 0 0 0 6 14 1 1 0 0 7 15 1 0 0 0 7 16 1 1 0 0 9 17 1 0 0 0 9 18 1 0 0 0 11 19 1 0 0 0 13 20 1 0 0 0 14 21 1 0 0 0 15 22 1 0 0 0 17 23 1 0 0 0 21 24 1 0 0 0 21 25 2 0 0 0 22 26 1 0 0 0 23 27 1 0 0 0 23 28 1 0 0 0 26 29 1 0 0 0 29 30 1 0 0 0 29 31 2 0 0 0 6 13 1 0 0 0 15 18 2 0 0 0 17 19 1 0 0 0 19 23 1 0 0 0 17 32 1 6 0 0 19 33 1 6 0 0 1 2 1 0 0 0 1 3 1 6 0 0 1 4 1 0 0 0 1 5 1 0 0 0 24 34 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 24 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 2 8 1 1 0 0 9 3 1 6 0 0 3 10 2 0 0 0 30 39 2 0 0 0 39 40 1 0 0 0 40 41 2 0 0 0 41 42 1 0 0 0 42 43 2 0 0 0 43 30 1 0 0 0 M END