10413 -OEChem-10011815043D 15 14 0 0 0 0 0 0 0999 V2000 3.2974 0.3526 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7045 -0.7396 -0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7215 1.3075 0.0113 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8888 0.2299 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -0.6917 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 -0.5469 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 0.0882 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8695 0.8678 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8514 0.9219 0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -1.3169 0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3199 -1.3367 -0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2803 -1.2137 -0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2746 -1.1525 0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2272 0.9319 0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5488 -0.2403 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 10 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 M END > DB01440 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SJZRECIVHVDYJC-UHFFFAOYSA-N/SDF?record_type=3d > OCCCC(O)=O > InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7) > SJZRECIVHVDYJC-UHFFFAOYSA-N > C4H8O3 > 104.1045 > 104.047344122 > 3 > 15 > 10.166134903961725 > 1 > 2 > 0 > 0 > 4-hydroxybutanoic acid > -0.63 > -0.5149198190000002 > 0.68 > 0 > 0 > -1 > 15.98255965448772 > 4.440873954984472 > -2.3817124873466886 > 57.53 > 23.800299999999996 > 3 > 1 > 4.94e+02 g/l > gamma hydroxybutyric acid > 0 $$$$