444637 -OEChem-10051719393D 63 62 0 1 0 0 0 0 0999 V2000 -5.1887 1.0809 -0.9787 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6193 -3.3533 -0.3294 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3336 -2.3914 0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8175 1.3063 0.4940 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7236 -1.0197 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3608 -0.0454 1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2874 -2.7627 -0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7604 2.0143 -0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7273 -2.4779 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0499 -1.9616 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1279 -1.5905 0.7395 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4222 2.2981 0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5745 -3.6829 -1.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1342 1.1176 -0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4677 3.0467 -0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3273 -0.8887 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 3.3400 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5558 -2.8062 1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0263 0.5395 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7305 4.2036 1.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8605 4.0333 -0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 -4.2851 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2468 -2.8818 1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 -2.2475 1.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0384 1.9643 1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 0.1491 1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 -0.5369 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8309 -0.5505 -0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4218 -1.1667 -0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4633 -1.8545 -1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 -3.4852 -1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1836 2.9703 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 1.4313 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3369 -1.7232 0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8947 -3.3970 0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 -2.7158 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8191 -1.0839 -0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6791 -0.8775 1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6273 2.8926 1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 1.3669 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7482 -2.8193 -2.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 -4.0389 -1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1478 -4.4762 -2.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8938 0.6486 0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5286 2.0859 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0004 0.4964 -1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3178 2.4471 -1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9336 3.9874 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6883 -1.4747 -0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1703 -0.8525 0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3662 2.3895 0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3408 -2.5318 2.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7224 -3.2129 2.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -3.6006 0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7634 1.1651 0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2142 0.5788 -1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 5.1088 1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 4.5151 1.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 3.6555 2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 5.0033 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0121 3.4181 -1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8397 4.1987 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9732 1.9918 -1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 63 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 19 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 M END > DB01637 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AJAKLDUGVSKVDG-UFYCRDLUSA-N/SDF?record_type=3d > CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO > InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3/t18-,19-,20-/m0/s1 > AJAKLDUGVSKVDG-UFYCRDLUSA-N > C20H42O > 298.5469 > 298.323565966 > 1 > 63 > 1.252872443996634e-09 > 41.00707501211916 > 0 > 1 > 0 > 0 > (3S,7S,11S)-3,7,11,15-tetramethylhexadecan-1-ol > 8.18 > 7.2882223113333335 > -7.11 > 0 > 0 > 0 > 0 > 17.109798188842486 > -1.8759742722002963 > 20.23 > 95.54129999999998 > 14 > 0 > 2.31e-05 g/l > biotin > 0 $$$$