31315 -OEChem-10051720433D 39 42 0 0 0 0 0 0 0999 V2000 -0.1006 -0.0279 -2.8845 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5664 -2.8501 0.8248 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7532 -2.6139 0.5111 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1054 2.1115 -1.9301 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0184 0.2534 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0288 1.6122 0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0807 0.7151 -1.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2213 -0.5675 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2434 -0.5048 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0791 2.6384 -0.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0124 1.9193 1.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 3.9751 -0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1503 -1.5438 0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4865 -1.6919 -0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4154 -0.3571 -0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1788 -0.0256 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 3.2653 2.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0831 4.2848 1.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2748 -2.3107 1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 -2.4006 -0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -1.1241 -0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3587 -0.7343 0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4695 -2.1010 0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6024 -1.9219 0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1452 2.6790 -2.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 1.1439 2.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 4.7591 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2548 -1.7206 1.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 -2.0931 -1.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 0.4082 -1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1063 0.9010 1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0287 3.5274 3.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1041 5.3238 1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2096 -3.0634 1.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8435 -3.3254 -1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4698 -0.9528 -1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0897 -0.3529 1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3382 -3.4756 1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7558 -3.4087 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 23 1 0 0 0 0 2 38 1 0 0 0 0 3 24 1 0 0 0 0 3 39 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 14 2 0 0 0 0 9 16 1 0 0 0 0 10 12 2 0 0 0 0 11 17 1 0 0 0 0 11 26 1 0 0 0 0 12 18 1 0 0 0 0 12 27 1 0 0 0 0 13 19 1 0 0 0 0 13 28 1 0 0 0 0 14 20 1 0 0 0 0 14 29 1 0 0 0 0 15 21 2 0 0 0 0 15 30 1 0 0 0 0 16 22 2 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 24 2 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 M END > DB04823 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SJDACOMXKWHBOW-UHFFFAOYSA-N/SDF?record_type=3d > OC1=CC=C(C=C1)C1(C(=O)NC2=CC=CC=C12)C1=CC=C(O)C=C1 > InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24) > SJDACOMXKWHBOW-UHFFFAOYSA-N > C20H15NO3 > 317.338 > 317.105193351 > 3 > 39 > -0.008225195094925098 > 33.06631177670032 > 1 > 3 > 0 > 1 > 3,3-bis(4-hydroxyphenyl)-2,3-dihydro-1H-indol-2-one > 3.78 > 3.831528069333333 > -4.40 > 0 > 0 > 4 > 0 > 9.781307872393402 > 9.17945553540577 > -5.95908198183888 > 69.56 > 93.69030000000004 > 2 > 1 > 1.25e-02 g/l > tetrahydrofolic acid > 0 $$$$