2361 -OEChem-10051720513D 33 36 0 0 0 0 0 0 0999 V2000 -0.9388 0.9464 -0.0828 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 -2.6704 0.1864 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1755 -0.2923 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6082 -0.2464 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 0.8934 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2315 1.0287 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3923 -1.5570 0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6495 -0.2308 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 2.1263 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4567 2.1909 -0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4816 -1.3627 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 -1.4388 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.1471 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1155 -0.0551 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8737 -1.2286 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4491 0.0265 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9376 -1.0519 -0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6882 1.1088 0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3225 -0.8859 -0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0731 1.2747 0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8902 0.2772 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4908 3.0431 -0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 3.1685 -0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1065 -2.3764 0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6381 -2.3633 0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1039 2.1249 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5025 -2.1110 0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 0.1356 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -1.9627 -0.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0758 1.8985 0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9589 -1.6599 -0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5157 2.1796 0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9685 0.4069 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 4 11 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 2 0 0 0 0 7 12 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 M END > DB06732 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OUGIDAPQYNCXRA-UHFFFAOYSA-N/SDF?record_type=3d > O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1 > InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H > OUGIDAPQYNCXRA-UHFFFAOYSA-N > C19H12O2 > 272.2974 > 272.083729628 > 2 > 33 > 0.0 > 29.905491245710426 > 1 > 0 > 0 > 1 > 3-phenyl-1H-benzo[f]chromen-1-one > 4.72 > 3.956861855333333 > -5.43 > 0 > 0 > 4 > 0 > -5.365020432085755 > 26.3 > 83.42140000000002 > 1 > 1 > 1.01e-03 g/l > biotin > 1 $$$$