2327 -OEChem-04251815243D 33 33 0 1 0 0 0 0 0999 V2000 1.4238 -1.8277 0.5906 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 0.1872 -1.7279 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0585 -2.0412 -0.1915 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8107 -1.1184 -0.7587 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 0.2437 -0.7193 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7707 0.6937 -0.2629 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 0.8841 0.1607 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 -0.2558 1.7817 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1345 0.6931 0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5724 0.5547 0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4004 0.2784 0.4225 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1483 -0.7024 0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0266 -0.0802 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 1.7046 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5283 -0.3340 -0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4815 -0.8119 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6385 1.5952 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2265 0.3370 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 -0.1143 1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0233 1.6223 1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5118 1.3688 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5486 1.4778 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8579 2.6900 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 1.7337 0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5057 -0.0722 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4644 -1.4264 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2072 2.4983 -0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6692 0.1252 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3178 -1.2677 1.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 -2.6018 0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6619 -0.1604 -2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9821 -1.9201 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8838 1.1389 -0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 30 1 0 0 0 0 2 15 1 0 0 0 0 2 31 1 0 0 0 0 3 16 1 0 0 0 0 3 32 1 0 0 0 0 4 13 2 0 0 0 0 5 18 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 7 13 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 20 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 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 14 17 2 0 0 0 0 14 23 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 M END > DB12783 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BNQDCRGUHNALGH-UHFFFAOYSA-N/SDF?record_type=3d > NC(CO)C(=O)NNCC1=C(O)C(O)=C(O)C=C1 > InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18) > BNQDCRGUHNALGH-UHFFFAOYSA-N > C10H15N3O5 > 257.246 > 257.101170595 > 7 > 33 > 24.493258707135112 > 1 > 7 > 0 > 0 > 2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide > -2.27 > -1.9020041327408348 > -1.70 > 0 > 1 > 1 > 10.742508035731095 > 8.657896949893226 > 7.475292091959801 > 148.07 > 73.2301 > 5 > 0 > 5.15e+00 g/l > benserazide > 0 $$$$