5288834 -OEChem-10051720183D 22 21 0 1 0 0 0 0 0999 V2000 -1.1236 -1.2979 -0.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5853 -1.2680 -0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 0.0725 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2139 0.7383 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4508 0.0831 0.2944 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3946 0.1087 1.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3094 0.7449 -0.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 0.8184 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 1.7978 -0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 0.6989 -1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3701 0.0911 1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3349 1.1279 1.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6871 -0.5265 2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3884 -0.2896 1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2595 0.2456 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3994 1.8006 -0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1726 0.6819 -1.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 0.3506 0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8738 0.7740 -1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6901 1.8681 0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -1.6993 -0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -1.6455 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 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 8 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 M END > DB03564 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SVTBMSDMJJWYQN-YFKPBYRVSA-N/SDF?record_type=3d > C[C@H](O)CC(C)(C)O > InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1 > SVTBMSDMJJWYQN-YFKPBYRVSA-N > C6H14O2 > 118.1742 > 118.099379692 > 2 > 22 > -8.305042166874317e-09 > 13.542692927707826 > 1 > 2 > 0 > 0 > (4S)-2-methylpentane-2,4-diol > 0.34 > -0.03499262399999985 > 0.14 > 0 > 0 > 0 > 0 > 15.863892389843326 > 15.122618562424375 > -2.5485532283457237 > 40.46 > 32.894800000000004 > 2 > 1 > 1.62e+02 g/l > pyruvic acid > 0 $$$$