6714002 -OEChem-10051719303D 71 74 0 1 0 0 0 0 0999 V2000 -1.7394 -1.3013 0.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 2.6185 -0.6587 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5425 -0.2561 -2.2679 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5698 1.2754 -0.2185 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 -2.6329 1.6228 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0286 -0.2805 2.6895 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5619 -2.4689 -0.5569 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2912 2.9934 1.2964 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2693 0.1683 -1.0783 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7999 -0.9418 -1.1840 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2343 -0.4047 -1.2986 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5582 0.4451 -0.0194 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5481 -0.7132 -1.0473 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0282 0.9769 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2608 -1.8486 -2.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4694 1.5320 0.2483 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0571 0.9456 0.0006 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2684 -1.8247 -2.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2315 -1.5659 -1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3107 1.1004 -2.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6793 -1.0918 -1.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9515 -0.2813 -0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8243 0.0279 -1.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3906 1.9779 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3611 1.6267 1.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8996 -0.6708 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1699 1.1346 -0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3024 1.2430 2.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1495 0.0705 1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -2.1667 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0114 2.2530 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8828 -3.5595 1.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5220 2.2736 0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7886 -3.9783 3.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0726 3.3241 1.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7713 -1.5420 -0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3213 0.2260 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4633 -0.2540 0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6671 1.8167 0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1126 0.3467 1.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5223 -1.4689 -3.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6549 -2.8672 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6201 1.9464 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -1.6386 -3.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -2.8274 -1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0837 -2.2989 -0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0428 -2.0917 -2.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 1.9652 -2.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 1.4934 -2.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6933 0.5931 -3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3390 -1.9661 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8882 -0.4904 -2.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4759 2.1129 -1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 2.9696 -0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 1.6809 -2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 2.5146 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 3.2855 -0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5079 -1.5517 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7688 0.9037 0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7408 2.0689 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4741 1.7855 3.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7818 -4.4385 1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8509 -3.0808 1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8790 1.2849 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8721 2.4819 -0.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8182 -4.4423 3.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8698 -3.1070 4.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5804 -4.6883 3.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1668 3.3136 1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7364 4.3265 1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7404 3.1393 2.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 30 1 0 0 0 0 2 16 1 0 0 0 0 2 57 1 0 0 0 0 3 23 2 0 0 0 0 4 27 1 0 0 0 0 4 31 1 0 0 0 0 5 30 1 0 0 0 0 5 32 1 0 0 0 0 6 29 2 0 0 0 0 7 30 2 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 0 0 0 0 13 18 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 26 2 0 0 0 0 23 27 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 28 2 0 0 0 0 25 56 1 0 0 0 0 26 29 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 35 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 M END > DB01130 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FNPXMHRZILFCKX-KAJVQRHHSA-N/SDF?record_type=3d > [H][C@@]12CC[C@](OC(=O)OCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C > InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1 > FNPXMHRZILFCKX-KAJVQRHHSA-N > C27H36O8 > 488.577 > 488.241018119 > 6 > 71 > 52.4316245824717 > 1 > 1 > 0 > 0 > 2-[(1S,2R,10S,11S,14R,15S,17S)-14-[(ethoxycarbonyl)oxy]-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl propanoate > 3.08 > 3.8318756826666673 > -4.94 > 1 > 4 > 0 > 15.838618856593936 > 14.829222173305045 > -2.8513633014644526 > 116.20000000000002 > 127.79539999999994 > 9 > 1 > 5.62e-03 g/l > batmen > 0 $$$$