3870203 -OEChem-02112023373D 18 18 0 0 0 0 0 0 0999 V2000 2.4587 -1.4390 0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2905 -3.1475 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8572 2.5853 0.0010 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2495 0.8881 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 1.8537 0.0010 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6925 -0.1898 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 1.3525 -0.0001 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7256 0.6098 0.0004 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9853 0.4506 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4037 0.0911 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1929 -0.9287 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 0.9605 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1023 -1.7981 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1961 -1.2883 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 2.0355 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0266 -1.9906 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0785 -0.8103 -0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2477 -3.3226 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 4 3 -1 5 -1 7 1 8 1 M END > DB02105 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VDCDWNDTNSWDFJ-UHFFFAOYSA-N/SDF?record_type=3d > OC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O > InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H > VDCDWNDTNSWDFJ-UHFFFAOYSA-N > C6H4N2O6 > 200.1058 > 200.00693587 > 6 > 18 > -0.9971690861767296 > 15.476787618356692 > 1 > 2 > 0 > 0 > 3,5-dinitrobenzene-1,2-diol > 1.71 > 1.2460835513333333 > -2.52 > 0 > -1 > 1 > -1 > 9.326598664632167 > 4.885000549553116 > -6.573706272814434 > 126.74000000000001 > 42.66080000000001 > 2 > 1 > 6.05e-01 g/l > α-D-glucose 6-phosphate > 0 $$$$