5288600 -OEChem-10051720083D 40 42 0 0 0 0 0 0 0999 V2000 -1.0183 -0.3016 2.3763 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8576 -1.1876 -2.3473 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9885 -2.8104 0.5392 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5187 1.2093 -0.4738 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8425 -0.6297 0.2291 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5676 -0.8711 0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8817 0.5379 -0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2756 0.6289 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8795 -0.7776 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3706 -1.4597 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6167 0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 1.6627 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5494 -0.2112 1.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4686 -0.6565 -1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9453 1.8261 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7671 2.8865 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 0.4525 0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6843 0.0072 -1.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1714 2.9671 -0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3325 0.5618 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3874 -1.4374 3.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 -2.5326 -2.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1271 1.7523 0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2973 -2.5312 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 -0.7890 0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0305 1.6526 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0266 1.8869 -0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 0.8642 1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1275 0.0943 -2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1874 3.7894 -0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6571 3.9306 -0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 -2.3676 2.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4629 -1.4264 3.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8518 -1.3882 4.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 -3.2127 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5881 -2.8260 -3.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 -2.6085 -2.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3946 0.9675 1.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0611 2.2301 0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5053 2.5325 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 14 1 0 0 0 0 2 22 1 0 0 0 0 3 11 2 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 24 1 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END > DB03083 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JBJYTZXCZDNOJW-JLHYYAGUSA-N/SDF?record_type=3d > COC1=CC(OC)=C(\C=C2\C(=O)NC3=CC=CC=C23)C(OC)=C1 > InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+ > JBJYTZXCZDNOJW-JLHYYAGUSA-N > C18H17NO4 > 311.3319 > 311.115758037 > 4 > 40 > -4.943515868979452e-05 > 32.568122631924986 > 1 > 1 > 0 > 1 > (3E)-3-[(2,4,6-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one > 3.20 > 2.7922163400000004 > -4.47 > 0 > 0 > 3 > 0 > 11.305934710298226 > -2.047392858741222 > 56.790000000000006 > 89.1209 > 4 > 1 > 1.04e-02 g/l > tetrahydrofolic acid > 0 $$$$