445638 -OEChem-10051720313D 48 47 0 0 0 0 0 0 0999 V2000 -7.4634 1.7072 0.5561 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0636 1.8811 -1.2234 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 -2.0680 0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 -1.1238 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3381 -2.2868 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2018 -0.8388 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3432 -3.1755 0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1525 0.1552 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3452 1.0534 0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1509 -0.1901 -0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7757 2.2911 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8021 -1.4413 0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5868 -3.4468 -0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0735 3.5417 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4297 0.4540 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -2.6740 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 4.7548 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3316 1.4067 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -1.6559 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 -3.0348 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2255 -1.5549 -1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4322 -0.1753 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0966 -2.7357 -1.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -1.3128 -0.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7341 -1.7804 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9143 -0.4419 1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8709 -4.1457 0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 -2.7654 1.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 1.0942 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4188 -0.2366 -1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1051 0.8409 1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4131 1.2735 1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3569 0.0041 -1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0698 -0.3731 -0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9893 2.5284 -1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 2.0421 -0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -1.6217 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9024 -1.2245 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 -4.3152 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8911 3.3252 1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1947 3.7879 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9838 -0.4748 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1763 0.9039 1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5395 -2.9500 -1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6324 5.0227 -0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6477 5.6155 0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3423 4.5568 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0324 2.3364 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 48 1 0 0 0 0 2 18 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 13 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 15 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 2 0 0 0 0 13 39 1 0 0 0 0 14 17 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 18 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 M END > DB04257 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SECPZKHBENQXJG-FPLPWBNLSA-N/SDF?record_type=3d > CCCCCC\C=C/CCCCCCCC(O)=O > InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- > SECPZKHBENQXJG-FPLPWBNLSA-N > C16H30O2 > 254.4082 > 254.224580204 > 2 > 48 > -0.990362564166792 > 32.8701849596776 > 0 > 1 > 0 > 0 > (9Z)-hexadec-9-enoic acid > 6.71 > 5.894661121 > -5.76 > 0 > -1 > 0 > -1 > 4.988167283903808 > 37.3 > 78.20019999999998 > 13 > 0 > 4.47e-04 g/l > tetrahydrofolic acid > 0 $$$$