9834298 -OEChem-10051720213D 28 27 0 1 0 0 0 0 0999 V2000 -2.4707 2.5786 -0.7964 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0692 -2.6502 -0.3247 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7107 -0.7142 -0.9692 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 -0.0796 1.1306 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0321 0.8720 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4586 1.1376 0.3374 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0087 0.4452 -0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3814 0.2623 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 -0.0539 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4209 -0.2038 -0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2732 -1.2730 0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8138 -0.3211 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 0.1063 1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6651 1.7781 1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0723 1.4291 1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0647 1.1907 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3209 -0.4985 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -0.4661 1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7077 1.2099 0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1443 0.2498 -0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5826 -0.3301 -1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 0.5109 -1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1337 -1.1851 -0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -1.6271 0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8705 -1.0288 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8715 1.9778 -1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0394 -3.5191 0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6184 -0.7826 -0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 26 1 0 0 0 0 2 11 1 0 0 0 0 2 27 1 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 7 8 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 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 M END > DB03760 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IZFHEQBZOYJLPK-SSDOTTSWSA-N/SDF?record_type=3d > [H][C@](S)(CCS)CCCCC(O)=O > InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1 > IZFHEQBZOYJLPK-SSDOTTSWSA-N > C8H16O2S2 > 208.341 > 208.059171136 > 2 > 28 > -0.9940585330892842 > 23.2704104167967 > 1 > 3 > 0 > 1 > (6R)-6,8-disulfanyloctanoic acid > 2.24 > 2.2028031356666666 > -3.30 > 0 > -1 > 0 > -1 > 9.819261357853792 > 4.91049046621903 > 37.3 > 55.9366 > 7 > 1 > 1.03e-01 g/l > biotin > 1 $$$$