3383616 -OEChem-10051721073D 41 40 0 0 0 0 0 0 0999 V2000 6.3235 0.2124 0.0392 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1671 1.1616 1.1411 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3733 -0.7877 0.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2774 0.8065 -1.2966 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 0.2609 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 -0.6413 -0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 -0.5141 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9881 0.1864 -0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0926 0.3857 -0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2589 -0.6599 0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3795 -0.4328 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5848 0.1034 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6157 0.4679 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8406 -0.7386 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9023 -0.3519 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1323 0.5415 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4998 0.9561 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5134 0.8715 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3159 -1.3239 -0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3216 -1.2584 0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8823 -1.1091 0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8882 -1.2241 -0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0287 0.7616 -1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 0.9149 0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0975 0.9438 -1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0451 1.1219 0.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2459 -1.4300 -0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2327 -1.1936 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3606 -1.0085 0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4364 -1.1544 -0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 0.9020 0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 0.6087 -1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6255 1.0620 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5670 1.1735 0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9019 -1.5034 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8247 -1.2448 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9673 -1.0401 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8907 -0.9620 1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1140 1.2192 0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0408 -0.0654 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1912 1.1442 -0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 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 15 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 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 M CHG 1 2 -1 M END > DB07681 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LDMOEFOXLIZJOW-UHFFFAOYSA-M/SDF?record_type=3d > CCCCCCCCCCCCS([O-])(=O)=O > InChI=1S/C12H26O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H,13,14,15)/p-1 > LDMOEFOXLIZJOW-UHFFFAOYSA-M > C12H25O3S > 249.39 > 249.152440356 > 3 > 41 > -0.9999999740308821 > 29.939212425454958 > 1 > 0 > -1 > 1 > dodecane-1-sulfonate > 4.30 > 4.072263983333333 > -4.27 > 0 > -1 > 0 > -1 > -0.5855427919457972 > 57.2 > 66.2152 > 11 > 1 > 1.45e-02 g/l > biotin > 0 $$$$