5311281 -OEChem-03182214373D 72 75 0 1 0 0 0 0 0999 V2000 0.3529 0.4404 -0.1044 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -4.4470 -0.5065 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4041 -0.8283 2.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1151 0.1675 -2.2771 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5107 3.7882 -2.1199 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3215 -0.4342 1.1973 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5663 -0.8983 -0.9846 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3376 -0.8283 -0.0170 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7150 -0.2644 -0.1744 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8266 -2.3514 -1.4893 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6141 -2.0475 -0.1463 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1388 -3.3777 0.1288 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9778 -0.7199 1.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5689 -3.3585 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9025 1.2164 -0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1514 -2.4947 -2.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 -1.9539 0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4966 -4.1588 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 1.7389 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -1.7799 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 0.7679 -1.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3501 -1.7002 1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3451 1.6839 -0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2567 2.2699 1.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1237 -0.3766 0.8235 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8446 1.9675 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3803 0.8110 1.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5547 2.1684 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4664 2.7544 1.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0188 2.1947 1.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5391 -0.5247 1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1022 2.0548 -1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2779 2.6637 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 3.1531 -0.9268 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6156 2.7037 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -0.2936 -1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6598 -0.7974 -0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0606 -2.5538 -2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -2.0859 -1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1483 -3.5904 1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9587 -0.3155 1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8964 1.3702 -1.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 1.8229 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0301 -2.4157 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2335 -1.7252 -3.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2013 -3.4695 -2.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7441 -2.0445 1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2378 -4.8442 0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5302 -4.1576 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4468 -4.5054 -0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2207 -1.7017 -0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1321 -1.8415 2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -2.5440 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3099 1.2664 -1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 2.3174 1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2128 -0.2024 -0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 2.6885 -0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3065 0.6274 2.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 0.8426 1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4497 2.1283 -0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5136 3.1717 2.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 2.2088 1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3904 2.9375 1.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5183 -0.6546 2.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0439 -1.3943 0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1546 0.3504 1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5028 1.2835 -1.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9818 3.5064 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8139 1.8986 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5252 3.9227 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5575 3.0809 1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0269 3.1381 -2.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 21 1 0 0 0 0 2 12 1 0 0 0 0 2 50 1 0 0 0 0 3 13 2 0 0 0 0 4 21 2 0 0 0 0 5 34 1 0 0 0 0 5 72 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 36 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 15 1 0 0 0 0 9 37 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 20 2 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 28 1 0 0 0 0 23 54 1 0 0 0 0 24 29 2 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 25 56 1 0 0 0 0 26 32 2 0 0 0 0 26 57 1 0 0 0 0 27 30 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 35 2 0 0 0 0 28 60 1 0 0 0 0 29 35 1 0 0 0 0 29 61 1 0 0 0 0 30 33 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 34 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 M END > DB16766 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GBOGMAARMMDZGR-TYHYBEHESA-N/SDF?record_type=3d > [H][C@]12[C@H](CC3=CC=CC=C3)NC(=O)[C@]11OC(=O)\C=C\[C@H](O)CCC[C@@H](C)C\C=C\[C@@]1([H])[C@H](O)C(=C)[C@H]2C > InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1 > GBOGMAARMMDZGR-TYHYBEHESA-N > C29H37NO5 > 479.617 > 479.267173295 > 4 > 72 > -8.559595491439178e-07 > 51.77864773336623 > 1 > 3 > 0 > 0 > (5R,9R,12aS,13S,15S,15aS,16S,18aS)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,12aH,13H,14H,15H,15aH,16H,17H,18H-oxacyclotetradeca[3,2-e]isoindole-2,18-dione > 4.05 > 4.082356843333333 > -4.89 > 0 > 0 > 4 > 0 > 14.162265226988744 > 13.1102968524651 > -2.8716115820565564 > 95.86 > 136.41699999999997 > 2 > 1 > 6.14e-03 g/l > cytochalasin B > 0 $$$$