9354 -OEChem-06181812403D 16 15 0 1 0 0 0 0 0999 V2000 0.3265 -1.7544 -1.1729 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3186 1.7549 -1.1700 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1431 0.7147 1.3513 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1799 -0.7160 1.3428 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8115 -0.2209 -0.6071 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7942 0.2278 -0.6232 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 -0.5696 0.2089 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5164 0.5661 0.2096 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9429 -0.0302 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9389 0.0276 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4095 -1.1762 1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4048 1.1710 1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -2.2478 -0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4932 0.8690 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0553 1.0731 1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0988 -1.0591 1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 M END > DB14089 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ACTRVOBWPAIOHC-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C(S)C(S)C(O)=O > InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8) > ACTRVOBWPAIOHC-UHFFFAOYSA-N > C4H6O4S2 > 182.218 > 181.97075006 > 4 > 16 > 15.467663016926029 > 1 > 4 > 0 > 0 > 2,3-disulfanylbutanedioic acid > 0.56 > 0.25882704599999995 > -1.87 > 0 > 0 > -2 > 5.44874638068228 > 3.3712346491431497 > 74.6 > 38.46740000000001 > 3 > 1 > 2.43e+00 g/l > chemet > 0 $$$$