656909 -OEChem-10051721233D 48 48 0 1 0 0 0 0 0999 V2000 0.6738 -1.6679 -0.4780 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1536 0.5539 -0.3485 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7997 -1.3412 -0.2941 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6022 1.4859 0.4463 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4291 -2.7828 0.4954 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7867 3.2507 0.0174 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 -0.7240 0.2794 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5667 0.7327 -0.1788 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4145 -1.5187 -0.1670 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2131 1.3425 0.1945 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1245 -0.7704 0.1834 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0601 2.7570 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6229 -0.5383 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 -1.0630 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1044 -0.1181 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4931 -0.6558 -0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6335 0.2631 0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0180 -0.2375 -0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1101 0.7523 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4850 0.2796 -0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7772 -0.7839 1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7283 0.7875 -1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4779 -1.7077 -1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0886 1.3882 1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -0.7257 1.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8274 3.4282 0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1099 2.7572 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5492 -0.4440 1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4679 0.4496 -0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0758 -1.1670 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1616 -2.0575 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0285 0.0079 1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9679 0.8719 -0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7244 -1.2830 -1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4635 1.4476 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5562 -0.7991 -1.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6291 -1.6435 0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3592 -2.6222 1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4701 1.2618 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5998 0.3735 1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2096 -1.2143 0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0416 -0.3814 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7089 4.1489 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9088 1.7343 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1075 0.8809 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7317 -0.6875 0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5301 0.1742 -1.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2504 1.0007 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 7 1 0 0 0 0 3 34 1 0 0 0 0 4 8 1 0 0 0 0 4 35 1 0 0 0 0 5 9 1 0 0 0 0 5 38 1 0 0 0 0 6 12 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 M END > DB08558 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CGVLVOOFCGWBCS-RGDJUOJXSA-N/SDF?record_type=3d > [H][C@]1(CO)O[C@@]([H])(SCCCCCCCC)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O > InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1 > CGVLVOOFCGWBCS-RGDJUOJXSA-N > C14H28O5S > 308.434 > 308.165744696 > 5 > 48 > -4.192222632104622e-06 > 35.60400808022622 > 1 > 4 > 0 > 1 > (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(octylsulfanyl)oxane-3,4,5-triol > 1.85 > 1.4199742066666667 > -1.92 > 0 > 0 > 1 > 0 > 13.363185057099408 > 12.48197646912775 > -2.97975289903754 > 90.15 > 79.12159999999999 > 9 > 1 > 3.67e+00 g/l > tetrahydrofolic acid > 0 $$$$