239 -OEChem-02202016283D 13 12 0 0 0 0 0 0 0999 V2000 -2.0404 0.9037 0.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 -1.2480 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7105 0.2249 0.0054 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2904 0.6014 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4105 -0.4344 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 -0.0476 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3637 1.2200 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.2475 0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 -1.0905 -0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -1.0680 0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 0.7921 -0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4465 -0.4788 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 0.5104 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 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 > DB03107 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UCMIRNVEIXFBKS-UHFFFAOYSA-N/SDF?record_type=3d > NCCC(O)=O > InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) > UCMIRNVEIXFBKS-UHFFFAOYSA-N > C3H7NO2 > 89.0932 > 89.047678473 > 3 > 13 > -0.0001070827875292446 > 8.617827871827803 > 1 > 2 > 0 > 0 > 3-aminopropanoic acid > -3.26 > -3.173589452576714 > 0.74 > 0 > 0 > 0 > 0 > 4.084398800362644 > 10.307201201262663 > 63.32 > 20.7028 > 2 > 1 > 4.94e+02 g/l > 2',4,4'-trihydroxychalcone > 0 $$$$