5496779 -OEChem-10051721043D 31 30 0 1 0 0 0 0 0999 V2000 3.3089 -0.3852 0.0757 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8077 -0.0396 -0.4716 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2879 0.2915 -1.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4982 0.3381 1.3194 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -1.8219 0.0308 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6175 0.0574 -0.3956 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8341 -0.4961 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6772 1.5781 -0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1702 -0.2637 -0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6751 -0.3597 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3719 -0.8014 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7101 2.4535 0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7038 -0.5510 -0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6027 -0.4221 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 -1.5770 0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8728 -0.0589 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5468 1.8135 -1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1952 1.8687 -1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1403 -0.7341 -1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3278 0.8084 -0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6735 -1.4434 0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7601 0.1261 1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 -1.8799 0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3966 -0.3374 1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5888 2.2443 1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7556 3.5084 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1864 2.3214 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5250 -0.9562 0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8774 0.5210 -0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7295 -1.0310 -1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0554 0.0969 -1.9781 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 2 0 0 0 0 1 5 2 0 0 0 0 2 10 1 0 0 0 0 3 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 M END > DB07518 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MHGOKSLTIUHUBF-MRVPVSSYSA-N/SDF?record_type=3d > [H][C@@](CC)(CCCC)COS(O)(=O)=O > InChI=1S/C8H18O4S/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)/t8-/m1/s1 > MHGOKSLTIUHUBF-MRVPVSSYSA-N > C8H18O4S > 210.291 > 210.092579754 > 3 > 31 > -0.9999999941449336 > 22.46600734173513 > 1 > 1 > 0 > 1 > {[(2R)-2-ethylhexyl]oxy}sulfonic acid > 0.93 > 2.5589865353333328 > -2.47 > 0 > -1 > 0 > -1 > -1.232468167982337 > 63.60000000000001 > 50.40129999999999 > 7 > 1 > 7.21e-01 g/l > tetrahydrofolic acid > 0 $$$$