Mrv1652306242120043D 35 37 0 0 0 0 999 V2000 -5.2346 0.4542 2.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0293 0.3799 1.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9237 0.2114 2.5234 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1551 0.4985 0.5901 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1139 0.4505 -0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 0.2775 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8204 0.2423 -1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5861 0.0544 -0.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -0.1004 0.4557 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -0.2460 0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4979 -0.4324 1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7739 -0.5450 0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8973 -0.7427 1.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6741 -0.8100 2.9036 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1927 -0.8608 1.2416 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 -0.4764 -0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 -0.2905 -1.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -0.1765 -0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5839 0.0026 -1.6367 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2012 0.3847 -2.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5372 0.5613 -2.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 0.5930 -1.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7876 0.7692 -2.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9793 0.3433 3.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9695 -0.3393 2.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7505 1.4342 2.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1657 0.6409 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 0.1642 0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2994 -0.4890 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5830 -0.5405 0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0647 -0.5632 -0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1698 -0.2284 -2.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 0.3524 -3.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 0.6689 -3.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0727 0.8741 -3.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 12 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 7 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 5 1 0 0 0 0 19 8 1 0 0 0 0 18 10 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 4 27 1 0 0 0 0 6 28 1 0 0 0 0 11 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 23 35 1 0 0 0 0 M END > NP0014547 > NP-MRD > [H]OC(=O)C1=C([H])C([H])=C2OC(=NC2=C1[H])C1=C([H])C([H])=C(O[H])C(N([H])C(=O)C([H])([H])[H])=C1[H] > InChI=1S/C16H12N2O5/c1-8(19)17-11-6-9(2-4-13(11)20)15-18-12-7-10(16(21)22)3-5-14(12)23-15/h2-7,20H,1H3,(H,17,19)(H,21,22) > VGZJCPODYDTPMO-UHFFFAOYSA-N > C16H12N2O5 > 312.281 > 312.074621494 > 5 > 35 > 31.914858463573797 > 1 > 3 > 0 > 1 > 2-(3-acetamido-4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid > 2.79 > 1.9363636096666659 > -3.29 > 0 > 3 > -1 > 7.872114166616223 > 3.6057455958201863 > -1.0160417156689405 > 112.66000000000001 > 91.9248 > 3 > 1 > 1.59e-01 g/l > 2-(3-acetamido-4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid > 0 > NP0014547 > Nocarbenzoxazole A $$$$