44 -OEChem-10051720203D 10 9 0 0 0 0 0 0 0999 V2000 0.2540 1.8282 0.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9104 -1.6133 -0.0835 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2885 -0.2648 1.2943 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2928 0.1988 0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -0.2692 -0.8258 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 0.5541 -0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1892 -0.3823 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2551 -0.0515 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 0.6775 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4898 2.3992 -0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 4 7 2 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 M CHG 2 2 -1 3 -1 M END > DB03680 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ROBFUDYVXSDBQM-UHFFFAOYSA-L/SDF?record_type=3d > OC(C([O-])=O)C([O-])=O > InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2 > ROBFUDYVXSDBQM-UHFFFAOYSA-L > C3H2O5 > 118.045 > 117.990223174 > 5 > 10 > -1.996902744250471 > 8.163450856924378 > 1 > 1 > -2 > 0 > 2-hydroxypropanedioate > -0.92 > -1.0462757289999998 > 0.55 > 0 > -2 > 0 > -2 > 4.791393825073151 > 2.156503841175261 > -4.856106978575348 > 100.49000000000001 > 42.00020000000001 > 2 > 1 > 5.42e+02 g/l > biotin > 0 $$$$