57410862 -OEChem-05201910503D 73 77 0 1 0 0 0 0 0999 V2000 -0.2214 -0.1654 1.1012 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4579 0.8133 -1.8657 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7886 0.8234 -0.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8865 2.2798 2.2222 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 3.9056 1.6258 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 1.3740 1.7632 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4413 -1.5871 0.7388 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4059 -1.3224 -0.6249 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -1.7120 -0.3619 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7998 -2.6144 -1.0420 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5450 -3.0863 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1967 -0.4756 0.1591 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2975 -2.3587 -0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1976 0.3344 -1.1482 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7342 -1.0945 -1.6602 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6268 0.8838 0.2277 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6982 0.3045 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5964 -4.1235 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -3.2212 1.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8028 0.5470 1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 1.4482 -2.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5915 1.8990 1.0259 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6521 1.6649 -0.2127 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9730 -1.2830 -3.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 1.6052 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2648 2.1563 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 2.6625 2.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9847 3.2757 -2.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6326 0.7699 0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -0.1385 0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4649 -0.8763 1.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4022 -0.4548 -0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3641 -1.0430 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0798 0.0481 -2.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 -2.3604 3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0599 1.1216 -2.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 -1.5339 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0698 -3.0185 -2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3598 -0.8066 0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9436 -2.3385 0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8046 -3.2436 -1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3557 -1.1385 -1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3398 -4.1785 1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0912 -4.0186 -1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1608 -5.1277 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3719 -4.0569 0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1524 -2.4516 1.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6242 -3.2302 2.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8334 0.4250 1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1796 1.6251 -3.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6485 2.8106 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8652 2.5189 0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -1.1460 -3.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6735 -2.2872 -3.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3768 -0.5792 -3.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 -0.1739 1.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1912 2.7476 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7594 2.4325 2.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 4.1877 -1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5779 3.4864 -3.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0457 3.0331 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9238 1.5346 2.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0672 4.5648 2.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3693 -1.0124 3.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8117 -0.2126 3.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1135 -0.7900 -2.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0666 0.4432 -2.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 -3.2221 2.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6477 -2.4382 4.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6702 -2.4152 2.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0408 1.9958 -1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7894 1.4477 -3.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0859 0.7398 -2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 56 1 0 0 0 0 2 17 2 0 0 0 0 3 23 1 0 0 0 0 3 29 1 0 0 0 0 4 22 1 0 0 0 0 4 62 1 0 0 0 0 5 27 1 0 0 0 0 5 63 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 21 1 0 0 0 0 15 24 1 0 0 0 0 15 42 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 43 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 25 2 0 0 0 0 20 49 1 0 0 0 0 21 26 2 0 0 0 0 21 50 1 0 0 0 0 22 25 1 0 0 0 0 22 51 1 0 0 0 0 23 26 1 0 0 0 0 23 52 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 27 1 0 0 0 0 26 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 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 36 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 M END > DB15109 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GLIUZQUNUNICGS-XUBYYPQFSA-N/SDF?record_type=3d > CCC1=C(C(=O)O[C@H]2C(C)=C[C@@]34[C@H](C)C[C@@H]5[C@H]([C@H](C=C(CO)[C@@H](O)[C@]23O)C4=O)C5(C)C)C(CC)=NO1 > InChI=1S/C28H37NO7/c1-7-18-20(19(8-2)36-29-18)25(33)35-24-13(3)11-27-14(4)9-17-21(26(17,5)6)16(23(27)32)10-15(12-30)22(31)28(24,27)34/h10-11,14,16-17,21-22,24,30-31,34H,7-9,12H2,1-6H3/t14-,16+,17-,21+,22-,24+,27+,28+/m1/s1 > GLIUZQUNUNICGS-XUBYYPQFSA-N > C28H37NO7 > 499.604 > 499.257002535 > 6 > 73 > 53.90036974751118 > 1 > 3 > 0 > 0 > (1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-4-yl 3,5-diethyl-1,2-oxazole-4-carboxylate > 2.81 > 2.706503008666666 > -3.70 > 1 > 5 > 0 > 14.015291778616229 > 12.133633506841843 > 0.4649909564078808 > 130.09 > 134.183 > 6 > 1 > 1.00e-01 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$