Mrv1652306242119493D 29 31 0 0 0 0 999 V2000 4.3034 -1.2735 2.1349 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0931 -1.3674 0.7470 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8054 -0.6889 0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8005 0.6604 0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6465 1.3342 -0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6374 2.7005 -0.4782 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4354 0.6730 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7097 1.3468 -0.4719 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8682 0.6937 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0263 1.4220 -0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9115 2.7774 -1.0726 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2199 0.7414 -0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2788 -0.6038 -0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1345 -1.3065 -0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9163 -0.6543 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7874 -1.3714 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -0.6676 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5916 -1.3492 0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3854 -0.3267 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9389 -0.8888 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 -2.4531 0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 1.1858 0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5286 3.1793 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7547 3.2917 -1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1413 1.2908 -1.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2364 -1.1394 -0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1352 -2.3631 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 -2.4226 0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5595 -2.4201 0.6620 H 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 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 3 1 0 0 0 0 17 7 1 0 0 0 0 15 9 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 4 22 1 0 0 0 0 6 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 16 28 1 0 0 0 0 18 29 1 0 0 0 0 M END > NP0013764 > NP-MRD > [H]OC1=C([H])C([H])=C([H])C2=C([H])C3=C([H])C(=C([H])C(O[H])=C3N=C12)C([H])([H])O[H] > InChI=1S/C14H11NO3/c16-7-8-4-10-6-9-2-1-3-11(17)13(9)15-14(10)12(18)5-8/h1-6,16-18H,7H2 > HZTVODDCPZODHQ-UHFFFAOYSA-N > C14H11NO3 > 241.246 > 241.073893218 > 4 > 29 > 25.293616484057914 > 1 > 3 > 0 > 1 > 2-(hydroxymethyl)acridine-4,5-diol > 1.89 > 2.1317471429999997 > -2.71 > 0 > 3 > 0 > 10.475841758639952 > 9.451062868143673 > 4.13364213036953 > 73.58 > 66.8352 > 1 > 1 > 4.73e-01 g/l > 2-(hydroxymethyl)acridine-4,5-diol > 0 > NP0013764 > Inubosin C $$$$