448537 -OEChem-12121823163D 40 41 0 0 0 0 0 0 0999 V2000 -5.9857 0.2503 -0.1267 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9857 -0.2502 -0.1265 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4341 -0.5216 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 0.5213 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -1.9786 -0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0168 1.9783 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9021 -0.3171 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 0.3171 -0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 -2.5717 1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 2.5722 1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 -0.2252 -1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5661 0.2240 -1.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5646 -0.2247 1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.2257 1.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9478 -0.0330 -1.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9477 0.0319 -1.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9462 -0.0325 1.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9461 0.0337 1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6378 0.0632 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6379 -0.0632 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9048 -2.1014 -0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7679 -2.5725 -0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 2.5719 -0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 2.1008 -0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 -3.6117 1.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 -2.5699 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9434 -2.0283 1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9424 2.0290 1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5206 3.6120 1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 2.5710 1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0386 -0.2990 -2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0386 0.2968 -2.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 -0.2986 2.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0374 0.3004 2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4748 0.0401 -2.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4808 -0.0428 -2.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4781 0.0416 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -0.0386 2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2981 0.2935 -1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2975 -0.2930 0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 39 1 0 0 0 0 2 20 1 0 0 0 0 2 40 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 10 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 13 17 2 0 0 0 0 13 33 1 0 0 0 0 14 18 2 0 0 0 0 14 34 1 0 0 0 0 15 19 2 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 M END > DB00255 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RGLYKWWBQGJZGM-ISLYRVAYSA-N/SDF?record_type=3d > CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 > InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ > RGLYKWWBQGJZGM-ISLYRVAYSA-N > C18H20O2 > 268.356 > 268.146329884 > 2 > 40 > 30.69005777835331 > 1 > 2 > 0 > 1 > 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol > 4.62 > 5.193882748 > -4.39 > 0 > 2 > 0 > 9.231491526289268 > 8.629198524189572 > -6.456792337140983 > 40.46 > 83.2406 > 4 > 0 > 1.09e-02 g/l > diethylstilbestrol > 0 $$$$