225609 -OEChem-02062018203D 61 64 0 1 0 0 0 0 0999 V2000 -1.9962 -0.0163 1.4166 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.2314 1.7962 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0826 -2.1328 -1.3421 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5308 -1.6777 -0.2665 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0051 -0.5870 0.2443 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2211 -0.0181 1.3496 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5025 1.1535 -0.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0761 -0.1676 -0.2637 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1948 1.0725 0.0053 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2235 0.9525 -0.5729 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9303 -0.2890 0.0579 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4045 0.3214 0.3751 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3976 -1.3718 0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 -0.4419 -0.4167 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0650 -1.5807 -0.0349 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0761 2.2361 -0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 1.8064 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0266 2.2303 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2967 -0.4461 -1.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1586 0.8976 -0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4633 2.1209 -0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1136 -1.5460 0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5759 -0.8187 -1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6135 -0.4779 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6321 -1.5220 0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3640 1.0247 0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1469 -0.1628 0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9268 0.2738 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2538 -0.0192 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2936 -1.0455 0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0769 1.1868 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1701 0.8379 -1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3732 -1.2284 1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9783 -2.2827 0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4943 -2.3366 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7964 3.1753 0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0117 2.3930 -1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1574 1.9797 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 2.4315 0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5558 3.0906 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0229 2.4409 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9641 0.2845 -2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7365 -1.4355 -1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3696 -0.4236 -2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4738 2.0764 -1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9982 3.0388 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8264 -1.4255 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7637 -2.5406 0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6001 -0.6581 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 -0.2261 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3542 -1.8752 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 -0.7072 2.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0362 -2.2634 1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9992 -1.7624 -0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5716 -2.9596 -1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8400 1.9910 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9151 1.0720 0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.6914 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2753 -1.8462 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1109 -1.4447 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2825 -0.5784 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 52 1 0 0 0 0 3 15 1 0 0 0 0 3 55 1 0 0 0 0 4 24 2 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 27 2 0 0 0 0 7 29 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 26 2 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 M END > DBSALT000659 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SYWHXTATXSMDSB-GSLJADNHSA-N/SDF?record_type=3d > [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C > InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1 > SYWHXTATXSMDSB-GSLJADNHSA-N > C23H31FO6 > 422.487 > 422.210466929 > 5 > 61 > -2.872512617424206e-06 > 44.41833618143452 > 1 > 2 > 0 > 1 > 2-[(1R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate > 2.16 > 1.7598987739999998 > -3.94 > 0 > 0 > 4 > 0 > 13.694587039808763 > 12.57652325420642 > -3.388756846087158 > 100.89999999999999 > 106.07949999999998 > 4 > 1 > 4.83e-02 g/l > cefazolin sodium > 0 $$$$