137895 -OEChem-02132012483D 39 38 0 0 0 0 0 0 0999 V2000 -8.6025 0.5375 -0.0762 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.2191 -0.3036 -0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6958 -0.4478 0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6154 0.3463 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9398 0.4411 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8983 -0.4928 0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2519 -0.3503 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 0.3525 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5351 0.4869 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4572 -0.4816 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8103 -0.3538 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7653 0.3149 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0589 0.5180 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9983 -0.5673 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7438 -1.0747 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6923 -1.1274 -0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6353 1.0060 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6184 1.0018 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8887 1.0718 -0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9452 1.1175 0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -1.1627 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9089 -1.1306 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 -1.0042 -0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2745 -1.0123 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1612 1.0552 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1867 0.9561 1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5327 1.1447 0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5305 1.1379 -0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4144 -1.1128 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4798 -1.1655 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8153 -1.0311 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8411 -0.9984 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8231 0.9316 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7384 1.0124 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0997 1.1741 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0737 1.1346 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0186 -1.1332 -1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0804 -1.2548 0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9888 0.2901 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 M END > DB02619 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ASIDMJNTHJYVQJ-UHFFFAOYSA-N/SDF?record_type=3d > [H]OCCCCCCCCCCCCBr > InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2 > ASIDMJNTHJYVQJ-UHFFFAOYSA-N > C12H25BrO > 265.23 > 264.108878069 > 1 > 39 > 8.747455040604531e-10 > 29.317443690954647 > 1 > 1 > 0 > 1 > 12-bromododecan-1-ol > 5.28 > 4.465279768 > -5.63 > 0 > 0 > 0 > 0 > 16.84394282199214 > -1.9922594096606376 > 20.23 > 66.90610000000001 > 11 > 1 > 6.23e-04 g/l > L-3-phenyllactic acid > 0 $$$$