8394 -OEChem-09261917363D 17 18 0 0 0 0 0 0 0999 V2000 -1.6364 -2.1270 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 0.0707 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0571 1.4051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 -0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3155 0.8671 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -1.4099 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 1.3461 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3584 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 1.7824 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4169 -0.9408 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6769 0.4326 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 -2.4809 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 2.4115 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6052 2.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2426 -1.6468 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 0.7888 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2973 -0.1659 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 M END > DBMET02815 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IJAPPYDYQCXOEF-UHFFFAOYSA-N/SDF?record_type=3d > O=C1NN=CC2=CC=CC=C12 > InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11) > IJAPPYDYQCXOEF-UHFFFAOYSA-N > C8H6N2O > 146.149 > 146.048012821 > 2 > 17 > 14.05148350948995 > 1 > 1 > 0 > 0 > 1,2-dihydrophthalazin-1-one > 1.18 > 0.9898889276666667 > -1.52 > 0 > 2 > 0 > 10.029208820378912 > -1.0690680312152707 > 41.46 > 42.177499999999995 > 0 > 1 > 4.45e+00 g/l > (2S,3R,4R,5S,6R)-2,3-dihydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-triene-4-carboxamide > 0 $$$$