5951796 -OEChem-10051721043D 32 34 0 0 0 0 0 0 0999 V2000 2.4873 1.3206 -0.0199 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -0.9400 0.0058 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1807 2.6358 0.0209 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7795 -0.5841 0.0329 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5326 0.8088 -0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0622 1.6201 0.0025 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7979 3.6447 -0.0296 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5502 -1.6847 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7794 -0.9300 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6188 -1.8194 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2588 -3.0240 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1537 -3.1138 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0058 -1.5941 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7411 0.4644 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 -1.3931 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1563 0.5306 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1943 -0.8638 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9296 1.1947 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4403 -0.1038 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8834 0.2488 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3953 1.2916 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9513 2.2907 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9589 -3.8473 -0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 -4.0162 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0684 -2.6790 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8071 1.0188 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -2.1878 0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1398 -1.3998 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 2.2785 0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5994 4.2662 -0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8778 4.0710 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0224 3.1398 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 21 1 0 0 0 0 3 32 1 0 0 0 0 4 20 2 0 0 0 0 5 21 2 0 0 0 0 6 20 1 0 0 0 0 6 22 2 0 0 0 0 7 22 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 M END > DB07539 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JLRKRQCTYQGDKJ-GHXNOFRVSA-N/SDF?record_type=3d > OC(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O > InChI=1S/C15H10N2O4S/c16-15-17-13(18)12(22-15)7-10-5-6-11(21-10)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,19,20)(H2,16,17,18)/b12-7- > JLRKRQCTYQGDKJ-GHXNOFRVSA-N > C15H10N2O4S > 314.316 > 314.036127508 > 4 > 32 > -0.9993424011863257 > 31.116420625243926 > 1 > 3 > 0 > 1 > 4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid > 2.27 > 2.147676526 > -3.59 > 0 > -1 > 3 > -1 > 10.849383211801682 > 3.902915504074304 > 1.4695248684343265 > 103.38999999999999 > 93.35379999999999 > 3 > 1 > 8.08e-02 g/l > biotin > 0 $$$$