51683 -OEChem-10051719473D 27 28 0 1 0 0 0 0 0999 V2000 1.2984 -1.3904 1.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -2.2347 -0.5106 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3189 0.1237 0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0325 0.9945 0.1685 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.1858 -0.3128 -0.4628 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1705 -0.9714 -0.2321 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4072 -0.9936 0.1490 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1322 0.1775 -0.5568 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3411 1.4645 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 1.9137 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -0.0919 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3665 1.3208 0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3291 -0.1981 -1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3362 -1.8404 -0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -1.2034 1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4008 0.1380 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8118 2.0998 0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 2.0371 -1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1961 2.1112 -1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8771 2.8738 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4979 -0.5319 0.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -0.0436 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2118 1.9727 0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 1.2893 1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1883 -0.6084 1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7718 -2.0537 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 0.9013 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 25 1 0 0 0 0 2 7 1 0 0 0 0 2 26 1 0 0 0 0 3 8 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 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 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > DB02034 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FXUAIOOAOAVCGD-WCTZXXKLSA-N/SDF?record_type=3d > [H][C@@]1(O)CN2CCC[C@@]([H])(O)[C@]2([H])[C@]1([H])O > InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1 > FXUAIOOAOAVCGD-WCTZXXKLSA-N > C8H15NO3 > 173.2096 > 173.105193351 > 4 > 27 > 0.9966264134121494 > 17.83899743378 > 1 > 3 > 0 > 0 > (1S,2R,8R,8aR)-octahydroindolizine-1,2,8-triol > -1.52 > -1.4067957670000002 > 0.88 > 0 > 1 > 2 > 1 > 14.381898358860454 > 13.284673320768636 > 9.470513713136212 > 63.93000000000001 > 43.117799999999995 > 0 > 1 > 1.32e+03 g/l > tetrahydrofolic acid > 0 $$$$