5284587 -OEChem-10061700083D 55 58 0 1 0 0 0 0 0999 V2000 -2.9054 0.1612 1.9908 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8216 2.5953 -0.7478 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1285 1.5903 -0.6634 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6146 0.7013 0.1302 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 -0.0358 1.4797 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6909 0.2789 -0.1243 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8323 -0.9695 0.1976 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5490 -0.9440 -0.4774 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0211 -0.1099 0.5873 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3355 0.3163 0.0104 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7691 -2.1282 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1463 -1.6555 0.4003 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9470 1.5033 0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 0.3936 -0.5791 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3355 -2.2303 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 1.5684 -0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9275 0.4849 -1.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 -2.1844 -0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4701 -0.9548 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2086 0.7240 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2662 -2.1392 -0.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 0.6503 -2.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5614 1.5347 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6294 -1.0850 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4956 0.4371 0.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7147 1.4094 0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3437 0.0875 0.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6455 -1.0091 1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 -0.8993 -1.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4435 0.2341 1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7926 -2.3202 -1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4597 -3.0554 0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3043 -2.1342 1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8198 1.4627 1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4856 2.4291 0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8078 -3.0988 -0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4047 -2.3850 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 1.4989 -1.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0091 0.3749 -2.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6439 -0.2234 -2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6812 -2.1858 -1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2696 -3.1017 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2494 -2.0768 -0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3001 -1.5858 -1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1183 -3.1969 -0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3882 -0.5429 2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 1.6520 -2.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8203 0.5708 -2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1834 -0.0623 -2.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 2.5421 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0782 -2.0560 0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5382 1.1160 1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5577 -0.5791 1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2184 2.2713 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6069 0.0503 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 46 1 0 0 0 0 2 16 2 0 0 0 0 3 20 2 0 0 0 0 4 25 1 0 0 0 0 4 55 1 0 0 0 0 5 27 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 21 1 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 19 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 24 2 0 0 0 0 20 25 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 26 2 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 M END > DB09383 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PIDANAQULIKBQS-RNUIGHNZSA-N/SDF?record_type=3d > [H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO > InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19+,20-,21-,22-/m0/s1 > PIDANAQULIKBQS-RNUIGHNZSA-N > C22H28O5 > 372.461 > 372.193674002 > 5 > 55 > 40.191281701789705 > 1 > 2 > 0 > 1 > (1S,2R,10S,11S,13S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-diene-5,17-dione > 2.09 > 2.0234770043333326 > -3.72 > 0 > 4 > 0 > 13.895704579476138 > 12.440328739155845 > -3.330181506976283 > 91.67 > 102.03969999999994 > 2 > 1 > 7.11e-02 g/l > methylprednisone > 0 $$$$