7532 -OEChem-10051720133D 19 19 0 0 0 0 0 0 0999 V2000 2.1153 -0.0126 -0.2528 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4582 0.1843 0.6519 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9166 1.1783 -1.0586 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1446 -1.3360 -0.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9456 -0.0105 1.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4541 -0.0053 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -1.2109 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1051 1.2052 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4217 -1.2063 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4143 1.2097 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0725 0.0040 -0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1367 -0.8887 1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 0.8794 1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6162 -2.1606 0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6036 2.1516 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9341 -2.1450 -0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9212 2.1520 -0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0918 0.0077 -0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5736 1.0786 1.0511 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 5 1 0 0 0 0 2 19 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 M END > DB03297 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NIXKBAZVOQAHGC-UHFFFAOYSA-N/SDF?record_type=3d > OS(=O)(=O)CC1=CC=CC=C1 > InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10) > NIXKBAZVOQAHGC-UHFFFAOYSA-N > C7H8O3S > 172.202 > 172.019414812 > 3 > 19 > -0.9999999896394485 > 15.991158682834136 > 1 > 1 > 0 > 0 > phenylmethanesulfonic acid > -0.97 > 0.9162887659999999 > -1.60 > 0 > -1 > 1 > -1 > -0.9846171218180907 > 54.37 > 41.267900000000004 > 2 > 1 > 4.35e+00 g/l > tetrahydrofolic acid > 0 $$$$