Mrv1652309112115252D 17 17 0 0 0 0 999 V2000 -0.3263 -0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8112 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6317 0.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 -0.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8881 1.7586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3361 2.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4176 2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3314 1.2156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1321 2.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 2.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2755 2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9899 2.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 3.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 1.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1321 3.2736 0.0000 O 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 3 4 1 4 0 0 0 2 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 5 9 1 0 0 0 0 8 10 1 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 13 14 1 0 0 0 0 12 15 1 0 0 0 0 11 16 1 0 0 0 0 10 17 1 0 0 0 0 M END > HMDB0254230 > hmdb > CC(=NO)C1=NC=C(N1)C(O)C(O)C(O)CO > InChI=1S/C9H15N3O5/c1-4(12-17)9-10-2-5(11-9)7(15)8(16)6(14)3-13/h2,6-8,13-17H,3H2,1H3,(H,10,11) > AMXVYJYMZLDINS-UHFFFAOYSA-N > C9H15N3O5 > 245.235 > 245.101170595 > 7 > 32 > 23.55067442458965 > 1 > 6 > 0 > 0 > 1-{2-[1-(hydroxyimino)ethyl]-1H-imidazol-5-yl}butane-1,2,3,4-tetrol > -1.71 > -2.938905484666667 > -1.22 > 0 > 1 > 0 > 12.56490553652959 > 9.668431101865629 > 4.603224341778915 > 142.19 > 57.295399999999994 > 5 > 0 > 1.48e+01 g/l > 1-{2-[1-(hydroxyimino)ethyl]-3H-imidazol-4-yl}butane-1,2,3,4-tetrol > 0 > HMDB0254230 > (1R,2S,3R)-1-[(2E)-2-(1-Nitrosoethylidene)-1,3-dihydroimidazol-4-yl]butane-1,2,3,4-tetrol $$$$