8063 -OEChem-10051719443D 16 15 0 0 0 0 0 0 0999 V2000 2.3182 0.9119 -0.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4055 0.1653 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7929 -0.4732 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6931 -0.8920 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8908 0.5787 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0779 -0.2907 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3032 0.7739 0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2889 0.8479 -0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 -1.0943 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9255 -1.1318 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6036 -1.5076 -0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6185 -1.5503 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8746 0.0998 -0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8061 1.2326 -0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8408 1.1995 0.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9026 -1.0243 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 M END > DB01919 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HGBOYTHUEUWSSQ-UHFFFAOYSA-N/SDF?record_type=3d > CCCCC=O > InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 > HGBOYTHUEUWSSQ-UHFFFAOYSA-N > C5H10O > 86.1323 > 86.073164942 > 1 > 16 > -1.1252526309631618e-11 > 10.321567480039405 > 1 > 0 > 0 > 0 > pentanal > 1.41 > 1.2077112103333332 > -0.76 > 0 > 0 > 0 > 0 > 17.948749962955628 > -6.944302342827888 > 17.07 > 25.5472 > 3 > 1 > 1.48e+01 g/l > biotin > 1 $$$$