5487888 -OEChem-08091917453D 41 43 0 1 0 0 0 0 0999 V2000 -1.6439 0.9170 -2.2770 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8064 -3.3087 0.2680 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5296 0.3781 2.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 -2.2011 1.0888 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0269 -0.7441 1.6822 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4972 1.3806 2.0282 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2386 2.7825 -0.1292 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5181 0.6010 0.2099 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 1.3097 -0.0737 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6318 1.4465 -0.2902 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1686 -1.2462 -0.4891 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1695 -3.3380 -0.9512 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0385 1.6490 -0.6724 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8630 1.8106 0.3161 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6570 0.8296 1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5384 -0.2394 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3542 0.3485 -2.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9951 -0.3578 -1.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1747 -1.2060 -1.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0809 -1.0624 0.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4911 1.1503 0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7511 0.6232 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0118 -0.8167 0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 -1.7554 0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1707 -2.5604 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2512 3.6095 -0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7095 2.5154 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 2.8202 0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3101 -0.3353 -3.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9712 1.2061 -2.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6326 1.0676 -1.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6821 -1.6752 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8492 -2.0051 -2.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9156 -0.5909 -2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6963 -2.7822 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1882 -1.6409 1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1313 -4.3508 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9931 -2.9364 -1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1988 3.4529 -0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9507 4.6534 -0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3724 3.4016 -1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 15 2 0 0 0 0 4 20 1 0 0 0 0 4 35 1 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 9 31 1 0 0 0 0 10 22 2 0 0 0 0 11 23 1 0 0 0 0 11 25 2 0 0 0 0 12 25 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 36 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 M END > DB13504 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MQLRYUCJDNBWMV-GHXIOONMSA-N/SDF?record_type=3d > [H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O > InChI=1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1 > MQLRYUCJDNBWMV-GHXIOONMSA-N > C14H15N5O5S2 > 397.42 > 397.051460951 > 8 > 41 > 37.420660549691696 > 1 > 3 > 0 > 0 > (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > -0.18 > -0.6523218633763105 > -3.36 > 0 > 3 > -1 > 11.070017894560818 > 2.7248803958343344 > 3.6124068242950664 > 147.21 > 94.18210000000002 > 5 > 1 > 1.74e-01 g/l > cefetamet > 0 $$$$