73271 -OEChem-10051720073D 18 18 0 0 0 0 0 0 0999 V2000 2.1661 2.3700 0.2023 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3984 -2.2431 0.2258 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9405 0.0096 -0.1579 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2969 -0.0531 1.4135 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3064 1.1358 -0.3551 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 0.0682 0.2212 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3103 -0.0783 -0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 -0.0295 -0.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3525 -1.2281 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6303 1.2739 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 -1.2003 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6422 -0.0252 0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 -0.9098 -1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9467 0.8633 -1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2409 1.9786 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1141 -2.1957 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2813 0.1265 0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5576 0.0110 0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 12 1 0 0 0 0 3 18 1 0 0 0 0 4 12 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 M END > DB03048 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NQAUNZZEYKWTHM-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CC1=CC(=O)NC(=O)N1 > InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12) > NQAUNZZEYKWTHM-UHFFFAOYSA-N > C6H6N2O4 > 170.1228 > 170.03275669 > 4 > 18 > -1.0075474323851978 > 14.316173862240348 > 1 > 3 > 0 > 0 > 2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetic acid > -0.83 > -1.2950301999999998 > -1.63 > 0 > -1 > 1 > -1 > 9.086037133507395 > 3.7702644142187345 > -5.325793563785395 > 95.5 > 37.8238 > 2 > 1 > 4.00e+00 g/l > biotin > 0 $$$$