5875 -OEChem-03081916293D 57 60 0 1 0 0 0 0 0999 V2000 3.4058 -2.9509 -0.7147 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0955 -0.2820 1.9862 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0685 2.2978 -1.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4065 -0.2137 -0.2738 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7558 2.6380 -0.3768 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0535 0.3469 1.7687 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9396 0.2027 -0.1566 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9664 -0.9842 0.0173 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4057 -0.7674 -0.6427 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0847 0.4901 0.0047 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1864 -0.3874 0.5707 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7958 -2.1995 -0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2841 1.4371 0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2352 -1.8666 0.0773 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1426 1.7367 -0.0134 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5601 0.7177 -0.5145 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2844 -2.0184 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2793 0.4989 -1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 -1.8096 -0.9786 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3214 -0.6007 -0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4635 0.3426 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7455 -2.8697 1.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6423 1.1112 -2.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2132 1.8517 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 -0.7105 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5206 1.7899 0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3245 1.7458 0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0237 0.4536 1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 -1.1099 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2766 -0.6013 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1842 0.2450 1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -2.3351 -1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4108 -3.1202 0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 1.3004 1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8869 2.3301 0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 -1.9635 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5626 2.5124 0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8456 -2.8683 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3178 -2.3197 0.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 0.6042 -2.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 -0.2882 -2.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 1.4314 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7098 -1.6900 -2.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0965 -2.9106 1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7591 -2.6154 1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7779 -3.8759 0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6715 1.0284 -2.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0183 0.4773 -2.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3382 2.1490 -2.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 -0.7056 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 2.8368 0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4736 3.1032 -1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -1.6579 0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6462 2.1212 1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3629 1.8858 1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7432 2.6017 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6280 2.4103 -0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 11 1 0 0 0 0 2 50 1 0 0 0 0 3 15 1 0 0 0 0 3 52 1 0 0 0 0 4 21 2 0 0 0 0 5 26 1 0 0 0 0 5 57 1 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 12 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 15 1 0 0 0 0 10 16 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 22 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 16 24 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 20 25 2 0 0 0 0 21 26 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 27 2 0 0 0 0 24 51 1 0 0 0 0 25 28 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 M END > DB01384 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MKPDWECBUAZOHP-AFYJWTTESA-N/SDF?record_type=3d > [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C > InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1 > MKPDWECBUAZOHP-AFYJWTTESA-N > C22H29FO5 > 392.4611 > 392.199902243 > 5 > 57 > 40.81488515318455 > 1 > 3 > 0 > 1 > (1R,2R,3aS,3bS,5S,9aR,9bS,10S,11aS)-5-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one > 1.51 > 1.298243457666665 > -3.43 > 0 > 4 > 0 > 13.840541308332206 > 12.449829551076498 > -2.851477700279718 > 94.83000000000001 > 102.78829999999998 > 2 > 1 > 1.45e-01 g/l > paramethasone > 0 $$$$