3840 -OEChem-10051719413D 16 16 0 0 0 0 0 0 0999 V2000 -0.8380 1.0962 0.2011 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2819 0.3330 -0.5633 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 1.0396 -0.1173 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0867 -1.6843 -0.1403 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 -0.2555 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 -1.2180 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -0.5473 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.8379 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 0.6120 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4824 1.4623 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4702 -2.2721 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -0.3599 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8501 -1.5783 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5821 2.5386 0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2339 0.1572 -0.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8138 2.0120 -0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 14 1 0 0 0 0 M END > DB01759 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BEJNERDRQOWKJM-UHFFFAOYSA-N/SDF?record_type=3d > OCC1=CC(=O)C(O)=CO1 > InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2 > BEJNERDRQOWKJM-UHFFFAOYSA-N > C6H6O4 > 142.1094 > 142.02660868 > 4 > 16 > -0.004971828501780135 > 12.633690024529503 > 1 > 2 > 0 > 0 > 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one > -1.02 > -0.5004820473333333 > -0.19 > 0 > 0 > 1 > 0 > 14.398083037650226 > 9.301322706894073 > -3.083176877268227 > 66.76 > 35.265699999999995 > 1 > 1 > 9.23e+01 g/l > biotin > 0 $$$$