46937111 -OEChem-10051721123D 38 38 0 1 0 0 0 0 0999 V2000 -1.2554 -0.8861 0.2927 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0585 -1.1277 0.1725 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 2.8747 0.1991 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1828 3.4835 1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0697 -2.6607 0.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6101 -1.0477 -0.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0883 1.8476 -0.4782 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0484 1.1134 0.0365 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0641 -0.3778 -0.3095 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3533 1.6946 -0.5240 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4860 0.7254 -0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6735 -2.0901 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9598 -2.5979 0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2846 -0.5552 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3806 -3.9317 -0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0908 -1.5748 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6036 2.9718 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4597 -1.4146 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7673 3.5533 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0414 1.2289 1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1229 -0.4955 -1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 1.9723 -1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4842 1.1098 -0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4819 1.5523 -1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8858 -2.8465 -0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8485 -1.9127 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7689 -2.7461 1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3145 -1.3573 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8294 -0.6326 0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0063 -1.9499 0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5918 -3.8296 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2824 -4.3167 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 -4.6811 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4809 3.2650 -0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4034 4.0422 -1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4775 2.7661 -0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2818 4.2892 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -3.2683 0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 34 1 0 0 0 0 4 17 2 0 0 0 0 5 18 1 0 0 0 0 5 38 1 0 0 0 0 6 18 2 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 14 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 M END > DB07960 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QDVFOADQCFRSSP-MKPLZMMCSA-N/SDF?record_type=3d > [H][C@]1(O)C=C(O[C@@]([H])(OCC(C)C)[C@]1([H])NC(C)=O)C(O)=O > InChI=1S/C12H19NO6/c1-6(2)5-18-12-10(13-7(3)14)8(15)4-9(19-12)11(16)17/h4,6,8,10,12,15H,5H2,1-3H3,(H,13,14)(H,16,17)/t8-,10+,12+/m0/s1 > QDVFOADQCFRSSP-MKPLZMMCSA-N > C12H19NO6 > 273.2824 > 273.121237345 > 6 > 38 > -0.9996495619123652 > 27.53162508192762 > 1 > 3 > 0 > 1 > (2R,3R,4S)-3-acetamido-4-hydroxy-2-(2-methylpropoxy)-3,4-dihydro-2H-pyran-6-carboxylic acid > 0.45 > -0.2739414323333329 > -1.07 > 0 > -1 > 1 > -1 > 12.507496896483826 > 3.5704963873202833 > -1.5827085550156321 > 105.09 > 65.74849999999999 > 5 > 1 > 2.32e+01 g/l > biotin > 0 $$$$