2972 -OEChem-10051721293D 19 19 0 0 0 0 0 0 0999 V2000 -1.3620 -1.9920 0.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7029 0.4496 0.0062 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3507 0.5250 0.0079 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 -0.7221 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6764 -0.7974 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5955 1.6889 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -1.9789 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8134 0.6114 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4763 0.4673 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7381 1.7482 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1798 2.6029 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9892 -2.8780 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3603 -1.8909 0.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9137 -2.1584 -1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2116 0.2645 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 1.6385 -0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 0.0095 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 2.6819 -0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7839 -2.7141 -0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 19 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 10 18 1 0 0 0 0 M END > DB08826 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TZXKOCQBRNJULO-UHFFFAOYSA-N/SDF?record_type=3d > CN1C=CC(=O)C(O)=C1C > InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3 > TZXKOCQBRNJULO-UHFFFAOYSA-N > C7H9NO2 > 139.1519 > 139.063328537 > 3 > 19 > -1.5177734963019334e-05 > 14.049391561236778 > 1 > 1 > 0 > 0 > 3-hydroxy-1,2-dimethyl-1,4-dihydropyridin-4-one > -0.60 > 0.6120479499999999 > 0.29 > 0 > 0 > 1 > 0 > 11.818639826749976 > -2.5587869397795626 > 40.540000000000006 > 40.6976 > 0 > 1 > 2.73e+02 g/l > biotin > 0 $$$$