Mrv1533004191523212D 15 17 0 0 0 0 999 V2000 2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 2 13 2 0 0 0 0 13 14 1 0 0 0 0 12 15 2 0 0 0 0 4 15 1 0 0 0 0 8 15 1 0 0 0 0 M END > NP0142922 > NP-MRD > OC1=C(O)C2=C3C(C=CN=C3C=CN2)=C1 > InChI=1S/C11H8N2O2/c14-8-5-6-1-3-12-7-2-4-13-10(9(6)7)11(8)15/h1-5,13-15H > ZLLLBEQWLHKRLA-UHFFFAOYSA-N > C11H8N2O2 > 200.197 > 200.058577506 > 4 > 23 > 19.634287034019586 > 1 > 3 > 0 > 1 > 2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1(13),3,5,7,9,11-hexaene-11,12-diol > 1.18 > 0.24679388840643401 > -2.11 > 0 > 3 > 1 > 11.523287816990868 > 6.989502119765982 > 9.14595057389156 > 65.38000000000001 > 57.4625 > 0 > 1 > 1.56e+00 g/l > 2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1(13),3,5,7,9,11-hexaene-11,12-diol > 0 > NP0142922 > 2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,8,10-hexaene-11,12-diol $$$$