56841872 -OEChem-10061700233D 57 60 0 1 0 0 0 0 0999 V2000 1.4724 0.0581 -1.2977 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8773 0.3371 -1.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4537 -2.2769 1.2383 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1147 -1.7485 -0.0066 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7535 0.8866 -1.3121 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 0.1910 -1.6176 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 -0.2389 0.2292 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7924 1.0219 0.1091 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5987 0.8548 0.7399 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3481 -0.3241 0.0291 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9838 0.3019 -0.4170 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9570 -1.3767 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6978 2.1405 0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4851 -1.6209 -0.0193 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8255 -0.4940 0.5619 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1045 1.7446 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3971 2.1671 0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9628 -0.6491 1.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 2.0180 1.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5141 0.8715 0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2033 -0.5295 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9154 -0.9537 2.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5598 -1.5481 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.0851 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5388 0.1988 -0.0903 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6780 -1.3412 -0.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3039 -0.0069 -0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6903 -0.7688 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6257 1.2316 -0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4922 0.6309 1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8857 -1.1404 -1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5385 -2.3026 -0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 3.1186 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 2.2043 1.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9421 -2.3196 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7747 1.8478 0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 2.4405 -0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 2.9575 1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4197 2.5050 -0.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6541 0.0363 2.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 -0.6760 2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4037 -1.6498 1.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8211 1.8493 2.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3586 2.9626 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2488 -0.3902 2.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9339 -0.8276 2.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 -2.0152 2.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1589 -2.5593 -0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8434 -0.5759 -2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0567 -3.0976 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0926 2.0680 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5458 0.9080 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1558 -2.1442 -1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7590 -1.4845 -0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6445 -0.2316 0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5787 -1.3313 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5367 1.4515 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 49 1 0 0 0 0 3 14 1 0 0 0 0 3 50 1 0 0 0 0 4 21 2 0 0 0 0 5 25 1 0 0 0 0 5 57 1 0 0 0 0 6 27 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 30 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 24 2 0 0 0 0 21 25 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 26 2 0 0 0 0 23 48 1 0 0 0 0 24 27 1 0 0 0 0 24 51 1 0 0 0 0 25 28 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > DB13491 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SLVCCRYLKTYUQP-DVTGEIKXSA-N/SDF?record_type=3d > C[C@H](O)C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C > InChI=1S/C22H29FO5/c1-12(24)18(27)21(28)9-7-15-16-5-4-13-10-14(25)6-8-19(13,2)22(16,23)17(26)11-20(15,21)3/h6,8,10,12,15-17,24,26,28H,4-5,7,9,11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1 > SLVCCRYLKTYUQP-DVTGEIKXSA-N > C22H29FO5 > 392.467 > 392.199902197 > 5 > 57 > 40.822535745696264 > 1 > 3 > 0 > 1 > (1R,2S,10S,11S,14R,15S,17S)-1-fluoro-14,17-dihydroxy-14-[(2S)-2-hydroxypropanoyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one > 1.64 > 1.8853610956666664 > -3.83 > 0 > 4 > 0 > 13.434269669801356 > 12.532497974940277 > -3.393370566779492 > 94.83000000000001 > 102.51519999999998 > 2 > 1 > 5.79e-02 g/l > (1R,2S,10S,11S,14R,15S,17S)-1-fluoro-14,17-dihydroxy-14-[(2S)-2-hydroxypropanoyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one > 0 $$$$