5288266 -OEChem-02132020463D 45 44 0 1 0 0 0 0 0999 V2000 4.5646 -1.5772 -0.9678 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9023 1.7837 0.4003 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6554 1.0321 -1.3508 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5353 -0.6535 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7525 0.2455 0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7985 0.0384 0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0537 -0.4933 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0109 -0.8821 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3057 0.3692 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3137 -0.1457 0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6385 -0.3110 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 -1.0405 0.3528 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8934 0.5337 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1856 -0.1661 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8672 -0.3288 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3999 0.7147 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1074 0.8812 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6231 -1.5463 0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5325 -1.0012 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7693 0.5813 1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6719 1.1408 -0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9073 0.9049 -0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7774 0.4265 1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0206 -0.8492 -1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1353 -1.3825 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9023 -1.7534 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0387 -1.2536 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2112 1.2685 -0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3399 0.7159 1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3778 0.7311 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2816 0.2194 1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7184 -1.2317 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 -0.6216 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -1.8946 1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9492 0.7957 1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7968 1.4763 -0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1389 -0.4222 -1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2976 -1.1043 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8752 -0.0139 1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7094 -1.0103 0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3315 1.6484 -0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3137 0.1966 -0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4916 0.9634 0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3344 -2.1676 -1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0688 2.5735 -0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 44 1 0 0 0 0 2 17 1 0 0 0 0 2 45 1 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 M END > DB02767 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ATRNZOYKSNPPBF-CYBMUJFWSA-N/SDF?record_type=3d > CCCCCCCCCCC[C@@H](O)CC(O)=O > InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1 > ATRNZOYKSNPPBF-CYBMUJFWSA-N > C14H28O3 > 244.3703 > 244.203844762 > 3 > 45 > 0.0015662440160008643 > 30.856556396012678 > 1 > 2 > 0 > 1 > (3R)-3-hydroxytetradecanoic acid > 4.69 > 4.136634380666667 > -3.91 > 0 > -1 > 0 > -1 > 15.288498288670866 > 4.671850167040888 > -2.798587426318786 > 57.53 > 69.3971 > 12 > 1 > 2.99e-02 g/l > 3-hydroxy-tetradecanoic acid > 0 $$$$