68152 -OEChem-02252017563D 12 11 0 0 0 0 0 0 0999 V2000 -1.8431 0.3169 -0.8325 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8864 -0.5663 -0.5685 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8867 1.2542 0.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2327 -0.8839 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5778 -0.1794 0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8804 0.0585 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -1.2985 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2555 -1.6998 -0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 0.6619 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3732 -0.8794 0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 0.7537 -0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 0.0542 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 M END > DB03688 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ALRHLSYJTWAHJZ-UHFFFAOYSA-N/SDF?record_type=3d > OCCC(O)=O > InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6) > ALRHLSYJTWAHJZ-UHFFFAOYSA-N > C3H6O3 > 90.0779 > 90.031694058 > 3 > 12 > -0.9984130507640504 > 8.150999882309067 > 1 > 2 > 0 > 0 > 3-hydroxypropanoic acid > -0.95 > -0.8035810240000001 > 0.86 > 0 > -1 > 0 > -1 > 16.02280713040642 > 4.201252954149806 > -2.477742482637333 > 57.53 > 19.0453 > 2 > 1 > 6.47e+02 g/l > mesoxalic acid > 0 $$$$