6082 -OEChem-10051719213D 32 32 0 1 0 0 0 0 0999 V2000 1.6234 0.8272 -1.8756 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8263 -2.4357 -0.1433 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0675 1.4559 0.1541 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 1.6775 0.0522 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6141 0.2791 -0.5546 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1847 1.3070 0.4484 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1863 -0.1291 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2389 0.7650 1.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1265 -1.4644 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7824 0.8579 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 0.4984 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4472 -1.8237 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4355 -0.8423 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3984 -3.7797 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6586 2.8071 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 -0.5951 -0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5976 2.2320 0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 1.4900 2.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 0.5660 2.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8134 -0.1666 1.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 1.8838 -0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 2.0173 -0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1451 0.8502 0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 -2.8433 0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5815 1.7961 -1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -1.1271 0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3081 -4.1043 -0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0073 -3.9253 1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2839 -4.4174 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5514 3.4332 0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2732 2.9597 -1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9512 3.1368 0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 25 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 M END > DB00723 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WJAJPNHVVFWKKL-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC(C(O)C(C)N)=C(OC)C=C1 > InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3 > WJAJPNHVVFWKKL-UHFFFAOYSA-N > C11H17NO3 > 211.2576 > 211.120843415 > 4 > 32 > 0.9947551094844289 > 22.805255123235412 > 1 > 2 > 0 > 1 > 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol > 0.41 > 0.5699118033333335 > -1.36 > 0 > 1 > 1 > 1 > 13.605220064184016 > 9.278000429724608 > 64.71 > 57.8391 > 4 > 1 > 9.21e+00 g/l > tetrahydrofolic acid > 0 $$$$