6476 -OEChem-10051720463D 28 29 0 1 0 0 0 0 0999 V2000 -0.8216 -1.6197 1.4288 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2075 1.0433 -1.4967 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2771 -0.5129 -0.0238 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2661 0.5763 0.5291 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9948 1.3518 -0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1244 -0.6708 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1585 0.2137 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 1.3633 1.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3067 0.6414 -0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3915 -0.9406 -0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 1.0385 0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3649 -1.4723 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -1.2718 -1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 0.7075 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 -0.4477 -0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4591 1.3200 -1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 2.3990 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1608 0.8546 2.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0277 2.3775 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 1.4619 2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5844 -1.5922 -0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0727 1.9516 1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1846 -2.2785 0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4571 -1.8834 -1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2962 -0.9532 0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8754 -2.1681 -1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3497 1.3507 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7688 -0.7043 -0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 7 10 2 0 0 0 0 7 11 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 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 M END > DB05246 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AJXPJJZHWIXJCJ-UHFFFAOYSA-N/SDF?record_type=3d > CN1C(=O)CC(C)(C1=O)C1=CC=CC=C1 > InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3 > AJXPJJZHWIXJCJ-UHFFFAOYSA-N > C12H13NO2 > 203.2371 > 203.094628665 > 2 > 28 > -9.395707543759153e-13 > 21.44928603056838 > 1 > 0 > 0 > 1 > 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione > 1.46 > 1.4630090576666663 > -1.98 > 0 > 0 > 2 > 0 > 19.0270705097855 > -7.236744369121766 > 37.38 > 56.348600000000005 > 1 > 1 > 2.13e+00 g/l > tetrahydrofolic acid > 1 $$$$