11790 -OEChem-02092017433D 33 36 0 0 0 0 0 0 0999 V2000 0.3434 0.2836 0.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0962 -3.7568 -0.1331 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9238 -0.2547 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0182 0.6400 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1344 -1.6342 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3316 0.1079 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4373 -0.5642 -0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4281 -2.1516 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5177 -1.2827 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0248 -2.5400 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8648 2.0423 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3545 -1.9023 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4347 0.9766 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7378 0.1354 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9723 2.8906 0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2557 2.3582 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8508 -0.4713 0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8614 1.4072 -0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 0.1894 0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0898 2.0678 -0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1986 1.4588 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6095 -3.2221 -0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5207 -1.7052 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 2.4934 0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2114 -2.5639 -0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4491 0.5823 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8299 3.9667 0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1186 3.0168 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7940 -1.4495 1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 1.9020 -1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9416 -0.2822 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1837 3.0556 -1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1548 1.9735 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 13 2 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 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 > DB07453 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VFMMPHCGEFXGIP-UHFFFAOYSA-N/SDF?record_type=3d > O=C1C=C(OC2=C1C=CC1=C2C=CC=C1)C1=CC=CC=C1 > InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H > VFMMPHCGEFXGIP-UHFFFAOYSA-N > C19H12O2 > 272.2974 > 272.083729628 > 2 > 33 > 0.0 > 29.730541053931578 > 1 > 0 > 0 > 1 > 2-phenyl-4H-benzo[h]chromen-4-one > 4.73 > 3.956861855333333 > -5.49 > 0 > 0 > 4 > 0 > -5.381708808182744 > 26.3 > 83.42140000000003 > 1 > 1 > 8.71e-04 g/l > azoxystrobin > 1 $$$$