4846 -OEChem-11262009233D 31 34 0 0 0 0 0 0 0999 V2000 2.6202 1.6400 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8107 3.2018 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -2.6120 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 0.6298 0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6299 -1.6541 0.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9356 0.6913 -0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5694 -1.0218 -0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7199 -0.2083 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 -0.0053 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 0.8386 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.4001 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 2.2330 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3467 -1.5856 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 2.4276 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9469 -0.7583 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 0.5461 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5305 -0.5393 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8374 -1.6840 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8482 -1.8279 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8242 0.7860 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2248 -1.5940 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7121 -0.2879 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9917 -0.6160 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7639 3.4511 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5172 1.5204 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2813 -2.6720 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4831 -2.8521 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2079 1.8025 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -2.4312 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7831 -0.1076 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4930 0.6196 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 23 1 0 0 0 0 4 31 1 0 0 0 0 5 23 2 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 25 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 14 2 0 0 0 0 12 14 1 0 0 0 0 13 18 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 20 2 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 M END > DB15945 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OKPNYGAWTYOBFZ-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=NC2=C(C(O)=C1)C1=NC3=CC=CC=C3OC1=CC2=O > InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22) > OKPNYGAWTYOBFZ-UHFFFAOYSA-N > C16H8N2O5 > 308.249 > 308.043321366 > 7 > 31 > 0.9430313629456029 > 29.497152682550073 > 1 > 2 > 0 > 1 > 4-hydroxy-12-oxo-12H-10-oxa-1,5-diazatetraphene-2-carboxylic acid > 1.82 > -0.11574793694266124 > -3.38 > 0 > -1 > 4 > -1 > 8.99180508917815 > 0.7856035363388401 > 6.019598092165852 > 109.08000000000001 > 81.43430000000004 > 1 > 1 > 1.29e-01 g/l > catalin > 0 $$$$