4117 -OEChem-10061700263D 30 30 0 1 0 0 0 0 0999 V2000 1.2204 -1.8892 -0.2221 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4007 -0.3072 -0.5301 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 0.2199 0.0136 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9770 -0.1932 -0.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3618 0.3374 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9846 -0.2992 1.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 -0.5401 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5364 1.7100 -0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5307 0.1377 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6189 -0.0330 0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 2.2169 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 1.3455 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -2.7056 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2038 1.3150 0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1546 0.1808 -1.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9587 -1.2864 -0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0109 -0.0193 1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0525 -1.3924 1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 0.1227 2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3778 -1.3259 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2591 2.4030 -0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4515 -0.0685 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5103 1.2168 0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6176 -0.3994 1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 -0.6475 0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9155 3.2903 0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7661 1.7415 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -2.5860 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -2.5409 -0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0265 -3.7476 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 M END > DB13624 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OEHAYUOVELTAPG-UHFFFAOYSA-N/SDF?record_type=3d > CNC(C)CC1=CC=CC=C1OC > InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3 > OEHAYUOVELTAPG-UHFFFAOYSA-N > C11H17NO > 179.2588 > 179.131014171 > 2 > 30 > 0.9990990215295471 > 20.788411474483183 > 1 > 1 > 0 > 1 > [1-(2-methoxyphenyl)propan-2-yl](methyl)amine > 2.13 > 2.0791596096666662 > -2.36 > 0 > 1 > 1 > 1 > 10.044894119895341 > 21.259999999999998 > 54.943000000000005 > 4 > 1 > 7.83e-01 g/l > tetrahydrofolic acid > 1 $$$$