3033053 -OEChem-10051719323D 41 43 0 1 0 0 0 0 0999 V2000 4.1856 0.7939 -0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0534 1.1880 1.0369 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 1.2470 0.3279 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7366 0.5547 1.1685 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8011 -0.9809 1.0612 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0465 1.6496 -1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4464 -1.5753 1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6858 0.4162 0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4129 -1.6023 -0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7406 -0.8975 0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6934 0.6361 -2.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2979 2.5953 1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5381 -1.8679 -1.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9718 -0.6916 -2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8714 0.9585 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9549 -1.6104 0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 0.2362 -0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1081 -1.0496 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4729 0.7271 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 -1.2964 1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1817 2.0724 -1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 2.4905 -1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4368 -2.6499 1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3261 -1.4822 2.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3226 -1.0665 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7837 -2.5938 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7044 1.1173 -3.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7516 0.4961 -1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 2.4169 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4383 3.1994 0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1858 3.2265 1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1623 -2.4463 -2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7194 -2.5503 -1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1003 -0.5835 -2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 -0.9777 -3.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4098 1.0852 0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9903 2.1884 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 1.9627 -0.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0031 -2.6181 1.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0321 -1.6205 0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 1.6907 -1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 41 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 13 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 2 0 0 0 0 15 38 1 0 0 0 0 16 18 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 40 1 0 0 0 0 M END > DB01209 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VTMVHDZWSFQSQP-VBNZEHGJSA-N/SDF?record_type=3d > [H][C@@]12CC3=CC=C(O)C=C3[C@@](C)(CCCCC1)[C@H]2N > InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1 > VTMVHDZWSFQSQP-VBNZEHGJSA-N > C16H23NO > 245.3599 > 245.177964363 > 2 > 41 > 0.9972758592332126 > 28.55528896172712 > 1 > 2 > 0 > 1 > (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.0^{2,7}]pentadeca-2,4,6-trien-4-ol > 3.77 > 3.2300964295828267 > -4.24 > 0 > 1 > 3 > 1 > 10.4267969916631 > 9.665920776075334 > 46.25 > 74.19019999999999 > 0 > 1 > 1.40e-02 g/l > biotin > 0 $$$$