5355130 -OEChem-10051723543D 47 47 0 1 0 0 0 0 0999 V2000 -1.4587 -0.3642 -0.0193 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5969 -2.4555 0.4513 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1181 0.9620 -0.3729 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8015 0.2602 -0.1543 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2188 -0.3439 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6694 1.4122 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2946 0.6724 -0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7837 -0.8644 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6991 0.0666 -0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9999 1.0421 2.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7756 1.0761 -1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -1.2724 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 -0.5720 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9783 -1.2546 0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 -0.6738 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5039 0.7059 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 -1.5038 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7785 1.2557 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6954 -0.9541 -0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8743 0.4256 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2293 2.3799 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5605 0.6970 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4894 -0.8139 0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2164 -1.1482 -0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3039 2.2522 0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6432 1.7995 0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0389 1.1116 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3195 1.4926 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -1.6525 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9287 -1.3106 1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7075 -0.7455 -1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9510 -0.3804 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3394 0.2573 2.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0359 0.7072 2.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8724 1.9176 2.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8227 1.8830 -0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5759 1.5189 -2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7557 0.5905 -1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 0.4797 -0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9545 -2.3163 0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 1.3874 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2999 -2.5813 -0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8473 2.3341 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5453 -1.6054 -0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6759 2.8922 -1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9405 2.7273 0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2864 2.6329 -0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 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 10 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 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 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 17 19 2 0 0 0 0 17 42 1 0 0 0 0 18 20 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 M END > DB09496 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YBGZDTIWKVFICR-JLHYYAGUSA-N/SDF?record_type=3d > [H]\C(=C(\[H])C1=CC=C(OC)C=C1)C(=O)OCC(CC)CCCC > InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+ > YBGZDTIWKVFICR-JLHYYAGUSA-N > C18H26O3 > 290.3972 > 290.188194698 > 2 > 47 > 1.4998693944237867e-12 > 34.83771507939504 > 1 > 0 > 0 > 1 > 2-ethylhexyl (2E)-3-(4-methoxyphenyl)prop-2-enoate > 5.62 > 5.380220219666667 > -5.81 > 0 > 0 > 1 > 0 > -4.819479599848811 > 35.53 > 86.4404 > 10 > 0 > 4.52e-04 g/l > tetrahydrofolic acid > 1 $$$$