5364783 -OEChem-09031812333D 53 52 0 0 0 0 0 0 0999 V2000 -4.8572 -2.6863 0.4730 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2969 -1.6329 -1.3946 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 2.6623 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9444 2.7048 0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 3.2339 0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9597 -2.5358 0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6754 -2.2469 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8869 2.1152 -1.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -2.1129 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4005 -2.6109 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9172 3.1884 0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3815 2.2093 -0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3692 -0.6275 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8501 -2.2158 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4571 1.7687 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7443 1.5410 0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1844 0.2773 0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -2.5915 0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9548 1.7751 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3805 -2.2156 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6759 3.2303 -1.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7986 1.6216 -0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0641 2.1570 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 3.7445 0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2549 2.6855 1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 4.2766 0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8935 -2.0573 1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0124 -3.6145 0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7034 -2.7926 -1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 -1.1817 -0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7157 2.6357 -1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 1.0676 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3953 -2.7023 -1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1027 -2.3828 0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -2.0997 1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3889 -3.6887 0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 3.7686 -0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4712 3.6866 1.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9642 1.8115 -1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 3.2662 -0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3693 -0.4514 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6499 -0.4106 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8363 -1.1342 -0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8252 -2.7020 -1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2516 1.1744 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9636 1.2721 -0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6484 2.1268 1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4591 -0.1016 1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -3.6731 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1881 -2.0802 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4999 2.2278 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1891 2.3369 -0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3212 0.7519 -0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 20 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 19 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 M END > DB14666 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MLQBTMWHIOYKKC-KTKRTIGZSA-N/SDF?record_type=3d > CCCCCCCC\C=C/CCCCCCCC(Cl)=O > InChI=1S/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3/b10-9- > MLQBTMWHIOYKKC-KTKRTIGZSA-N > C18H33ClO > 300.91 > 300.2219934 > 1 > 53 > 38.190403967956925 > 0 > 0 > 0 > 0 > (9Z)-octadec-9-enoyl chloride > 7.85 > 7.317128096000001 > -7.42 > 0 > 0 > 0 > -9.146087302752484 > 17.07 > 91.2607 > 15 > 0 > 1.14e-05 g/l > (9Z)-octadec-9-enoyl chloride > 0 $$$$