76967262 -OEChem-10061700283D 45 47 0 1 0 0 0 0 0999 V2000 -1.0147 2.7232 0.0326 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 0.5025 -0.5230 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4168 -0.9135 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 -0.7348 1.0426 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7184 0.5278 0.6796 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9296 1.4159 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3973 -0.4333 1.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 0.5761 1.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2534 0.9228 -1.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4894 -2.0995 -0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6573 -1.1222 -1.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7634 0.3662 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 1.4731 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3319 -0.9070 0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6911 -1.0732 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9134 1.3069 -0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 0.0339 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 -2.4455 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9392 -0.1194 -0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2854 -1.5750 1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7829 1.5155 1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5847 2.3858 0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6455 1.6306 -0.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5187 0.0559 2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8486 -1.3555 1.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6401 0.3941 0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 1.0791 2.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.2853 -2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0508 0.8803 -2.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8869 1.9543 -1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0165 -2.8968 -1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1168 -2.5933 0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1675 -2.0561 -1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6494 -1.8152 -1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3641 -1.1884 -2.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -0.3332 -1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7575 -1.7864 0.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5273 2.1718 -0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7106 3.3618 -0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5253 -3.2028 0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7052 -2.7191 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0553 -2.5030 0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0935 -0.7587 -1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4602 -0.5494 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4142 0.8440 -0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 34 1 0 0 0 0 11 33 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 M END > DB13714 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RNRHMQWZFJXKLZ-JCKWVBRZSA-N/SDF?record_type=3d > CC1=CC(O)=C(C=C1C)[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C > InChI=1S/C18H26O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h8-9,13,15,19H,6-7,10H2,1-5H3/t13-,15+,18+/m0/s1 > RNRHMQWZFJXKLZ-JCKWVBRZSA-N > C18H26O > 258.405 > 258.198365457 > 1 > 45 > 31.331044560195608 > 1 > 1 > 0 > 1 > 4,5-dimethyl-2-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]phenol > 5.96 > 5.364369477333333 > -4.87 > 0 > 3 > 0 > 10.862569264370547 > -5.197427166119142 > 20.23 > 80.5057 > 1 > 0 > 3.48e-03 g/l > 4,5-dimethyl-2-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]phenol > 1 $$$$