5287550 -OEChem-10051720173D 27 28 0 0 0 0 0 0 0999 V2000 -2.9709 0.3630 -0.0989 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.3982 0.7340 -0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2669 -0.2943 1.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6803 1.8134 0.0102 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4027 -0.4512 -1.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2455 1.6176 0.0222 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4265 -0.2846 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6006 1.1437 -0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.7105 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6022 2.0750 0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 0.2582 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3786 -0.1730 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6562 -2.0748 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -1.5333 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3245 -2.4832 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 -0.3519 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0395 -0.9601 -0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 1.4853 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 1.1642 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7945 2.1188 1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 3.0911 -0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4827 2.2814 0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 -2.8248 0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7097 -1.9045 -0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0811 -3.5416 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1603 -0.6553 1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6534 1.8743 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 12 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 M END > DB03525 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NSJSAHCLJYVEDM-UHFFFAOYSA-N/SDF?record_type=3d > OP(O)(=O)OC1=C2NCCCC2=CC=C1 > InChI=1S/C9H12NO4P/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2,(H2,11,12,13) > NSJSAHCLJYVEDM-UHFFFAOYSA-N > C9H12NO4P > 229.1696 > 229.050394389 > 4 > 27 > -1.7907893724538206 > 20.768844840327453 > 1 > 3 > 0 > 1 > (1,2,3,4-tetrahydroquinolin-8-yloxy)phosphonic acid > 1.11 > 0.4005643995810508 > -1.89 > 0 > -2 > 2 > -2 > 6.722666233726749 > 1.193144697670682 > 4.013981715245046 > 78.78999999999999 > 57.016200000000005 > 2 > 1 > 2.94e+00 g/l > biotin > 0 $$$$