1549789 -OEChem-10061700123D 38 38 0 0 0 0 0 0 0999 V2000 2.5615 -0.2898 -0.0686 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 1.8727 0.3699 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0781 -0.9656 -0.0984 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3105 -0.8034 -0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -1.1054 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 0.1125 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6629 0.2676 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7646 -0.3497 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 0.6964 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1795 0.3831 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2944 0.0914 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7891 0.8644 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4404 -0.9679 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1989 1.2915 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7941 -0.5211 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7567 -1.4231 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5151 0.8361 -0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0900 0.0103 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8474 -1.7257 -0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5584 -1.8882 0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 -1.5320 -1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1259 0.5360 0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0874 0.8803 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7515 0.3589 -1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2803 1.2562 -0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 0.0044 -2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3462 0.6231 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8558 -0.2576 1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4701 -1.0786 1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2462 -0.9682 -0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 1.9287 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 -1.7020 0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9963 2.3516 -0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -2.4809 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2721 1.5903 -0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0486 -0.5183 -0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9599 0.4891 -1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1510 0.7394 0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 15 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 M END > DB11207 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UBNYRXMKIIGMKK-RMKNXTFCSA-N/SDF?record_type=3d > COC1=CC=C(\C=C\C(=O)OCCC(C)C)C=C1 > InChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3/b9-6+ > UBNYRXMKIIGMKK-RMKNXTFCSA-N > C15H20O3 > 248.322 > 248.141244504 > 2 > 38 > 28.328758143093598 > 1 > 0 > 0 > 1 > 3-methylbutyl (2E)-3-(4-methoxyphenyl)prop-2-enoate > 4.27 > 3.968560494666666 > -4.53 > 0 > 1 > 0 > -4.819474287153994 > 35.53 > 72.71440000000001 > 7 > 1 > 7.38e-03 g/l > neo heliopan > 1 $$$$