487 -OEChem-10051720303D 14 13 0 0 0 0 0 0 0999 V2000 2.3938 -0.4259 -0.3886 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3104 -0.3435 -0.7764 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2617 1.4784 0.0907 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4047 1.1636 0.6562 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 -0.5934 -0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -1.7245 0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2576 0.2763 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2864 0.1689 -0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 -1.0131 -1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1501 -1.3271 1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9394 -2.3721 0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8279 -2.3458 0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1912 0.1444 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1363 0.1728 -0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 M END > DB04183 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZIYVHBGGAOATLY-UHFFFAOYSA-N/SDF?record_type=3d > CC(C(O)=O)C(O)=O > InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) > ZIYVHBGGAOATLY-UHFFFAOYSA-N > C4H6O4 > 118.088 > 118.02660868 > 4 > 14 > -1.9171393782000914 > 10.057853065917067 > 1 > 2 > 0 > 0 > 2-methylpropanedioic acid > 0.17 > 0.21186901000000008 > 0.10 > 0 > -2 > 0 > -2 > 6.256772105384455 > 2.4752703991264853 > 74.6 > 23.5623 > 2 > 1 > 1.49e+02 g/l > biotin > 0 $$$$