9806281 -OEChem-04252416353D 70 74 0 1 0 0 0 0 0999 V2000 2.0845 -0.2736 -1.1830 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1302 2.2316 0.6228 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0465 1.2215 -1.1239 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9892 3.4257 -0.3106 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 -2.2569 1.5528 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0526 1.3292 1.4463 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0830 -0.8853 0.1676 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7038 -1.4654 -2.1869 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8513 -3.0955 -0.4532 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7758 0.2801 0.7822 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3823 1.2573 0.4795 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7535 0.7298 0.9239 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9728 1.1377 0.2970 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0539 -0.6078 0.1624 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6421 2.5577 0.7645 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1212 2.5931 1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5069 -1.0099 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 -1.6274 0.2811 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4952 -1.1649 0.4921 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8450 1.7779 0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9406 -0.0293 2.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 1.2550 0.9659 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3102 0.6337 0.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2559 2.5997 -1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -0.0337 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6731 -1.6244 1.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7954 -2.3829 -0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6842 -0.7668 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7078 2.7909 -1.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3157 3.0048 -2.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5229 -0.1388 -0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 -2.4900 -1.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7573 -1.3739 -1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5493 -2.1165 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0553 -2.0760 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6307 -3.4065 -0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4501 1.3896 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7423 0.5453 2.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1725 2.8890 1.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0719 2.6538 2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3665 3.4447 0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5629 -0.8065 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2616 -1.7683 0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -2.4139 -0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6677 2.6784 1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8077 2.1076 -0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2939 0.8385 2.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6637 -0.8340 2.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 -0.3441 2.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 1.0975 2.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2588 -0.9117 2.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2095 -2.5960 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7364 -1.7450 2.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1455 -3.2484 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2181 -3.1550 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3388 -1.4746 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2245 -0.9826 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 2.5497 -1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9662 2.1383 -2.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9052 3.8315 -2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2702 2.8888 -2.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 4.0558 -2.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4657 2.3772 -3.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2116 0.6805 -0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9733 -3.3955 -1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4681 -1.8159 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3273 -1.2988 -1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3792 -4.2046 -0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7209 -3.3452 -0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2369 -3.6917 -1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 22 1 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 15 1 0 0 0 0 4 24 1 0 0 0 0 5 18 1 0 0 0 0 5 55 1 0 0 0 0 6 23 2 0 0 0 0 7 28 1 0 0 0 0 7 34 1 0 0 0 0 8 33 2 0 0 0 0 9 34 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 25 1 0 0 0 0 22 50 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 2 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 32 2 0 0 0 0 27 54 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 65 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 M END > DB18737 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UBOIMZIXNXGQOH-RTWVSBIPSA-N/SDF?record_type=3d > [H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C > InChI=1S/C27H34F2O7/c1-6-22(33)34-13-20(32)27-21(35-23(2,3)36-27)11-15-16-10-18(28)17-9-14(30)7-8-24(17,4)26(16,29)19(31)12-25(15,27)5/h7-9,15-16,18-19,21,31H,6,10-13H2,1-5H3/t15-,16+,18-,19-,21+,24+,25-,26+,27+/m0/s1 > UBOIMZIXNXGQOH-RTWVSBIPSA-N > C27H34F2O7 > 508.559 > 508.227259761 > 6 > 70 > 0.00047913837016342513 > 50.91199873124675 > 1 > 1 > 0 > 0 > 2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethyl propanoate > 2.7460598263333322 > 0 > 0 > 5 > 0 > 14.723413572532728 > 13.60001863921921 > -3.3935718211666432 > 99.13 > 125.19160000000001 > 5 > 0 > 2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethyl propanoate > 0 $$$$