1369 -OEChem-02282017493D 34 36 0 0 0 0 0 0 0999 V2000 -0.8066 -2.2923 -0.0622 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3782 -2.4218 1.5062 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5903 -3.4672 -0.3959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3672 -1.9268 -0.8315 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8857 -0.1021 0.4181 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5231 0.4399 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5179 1.4440 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 0.8090 0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8886 -0.9038 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1524 2.7877 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8487 1.0748 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1528 2.1489 0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2157 -1.2524 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 3.1364 0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1938 -0.2650 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2565 0.0148 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 -0.7368 0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 0.8839 -0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5517 -0.6201 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0529 1.0004 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9826 0.2484 -0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9006 3.5759 0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6299 1.8297 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1654 2.4638 0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5492 -2.2750 -0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7025 -0.8220 1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5579 4.1786 0.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2274 -0.5362 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8704 -1.4182 1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9916 1.4613 -1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2757 -1.2059 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3883 1.6715 -1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 -2.5914 2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0418 0.3380 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 2 33 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 34 1 0 0 0 0 M END > DB04474 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FWEOQOXTVHGIFQ-UHFFFAOYSA-N/SDF?record_type=3d > OS(=O)(=O)C1=CC=CC2=CC=CC(NC3=CC=CC=C3)=C12 > InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20) > FWEOQOXTVHGIFQ-UHFFFAOYSA-N > C16H13NO3S > 299.344 > 299.061613977 > 4 > 34 > -0.9999999196999593 > 30.352226443598042 > 1 > 2 > 0 > 1 > 8-(phenylamino)naphthalene-1-sulfonic acid > 1.54 > 2.1060172343589314 > -4.30 > 0 > -1 > 3 > -1 > 18.905787667525306 > -2.0288841730433544 > -0.08307410962368668 > 66.4 > 81.6169 > 3 > 1 > 1.51e-02 g/l > L-saccharopine > 0 $$$$