64715 -OEChem-10051720503D 62 64 0 1 0 0 0 0 0999 V2000 -2.2403 0.7906 0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 -0.2516 0.7335 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0332 2.6904 -0.2638 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4253 2.5118 1.6499 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1915 -0.4088 2.3695 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 -1.3345 -0.4939 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4547 -1.5092 0.5196 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1789 -2.7094 -1.0588 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9424 -0.1744 1.1334 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8948 -0.5473 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6031 -2.2908 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2088 -0.3864 1.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -0.3141 -0.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9998 -3.5481 -1.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3449 -0.9733 1.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2531 -3.3356 -1.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8925 -2.0334 0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1303 0.4884 -0.3906 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0533 -3.5306 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 0.7568 -1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 1.4207 -0.8031 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7062 1.9940 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9326 0.5467 0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8924 -0.0367 1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6591 2.5907 -0.4453 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9174 3.4849 -1.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7312 3.3800 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8452 2.7294 -2.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6762 -0.7546 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0902 -2.1240 1.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -2.5275 -1.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 0.2269 1.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 0.4364 0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2933 -1.0545 0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9735 -1.0886 2.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5672 0.5213 2.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 -1.2651 -1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5406 0.2145 -1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8117 -4.3615 -2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0988 -1.3965 1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8426 -0.1808 0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0478 -3.9723 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6831 -2.6010 -0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7371 1.4338 0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5513 -3.7141 0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -4.5082 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0092 -3.0429 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -0.1822 -1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7707 1.4025 -2.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1687 1.5994 -1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6290 1.1290 0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4754 -0.3028 -0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 1.7697 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5249 2.5547 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6381 3.9061 -2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 4.3285 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 2.7489 1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4865 3.7593 -0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3055 4.2369 0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 2.4281 -1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4308 3.3714 -3.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2586 1.8363 -2.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 2 18 1 0 0 0 0 2 24 1 0 0 0 0 3 21 1 0 0 0 0 3 54 1 0 0 0 0 4 22 2 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 30 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 18 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 2 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 M END > DB06693 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AJLFOPYRIVGYMJ-INTXDZFKSA-N/SDF?record_type=3d > [H][C@]12[C@H](CCC=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC > InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 > AJLFOPYRIVGYMJ-INTXDZFKSA-N > C23H34O5 > 390.52 > 390.240624195 > 3 > 62 > 43.57364522635587 > 1 > 1 > 0 > 1 > (1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate > 4.13 > 3.6151678180000006 > -4.08 > 1 > 3 > 0 > 14.914537666911102 > -2.8361812244930835 > 72.83 > 108.63379999999998 > 7 > 1 > 3.21e-02 g/l > mevastatin > 0 $$$$