743 -OEChem-10051720183D 17 16 0 0 0 0 0 0 0999 V2000 -3.6409 0.6791 0.0049 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6535 0.6660 -0.0323 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 -1.3093 -0.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5245 -1.3058 0.0258 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 -0.0858 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2696 0.7650 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 0.7591 0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5183 -0.0865 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5226 -0.0818 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7130 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 -0.7791 0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 1.3720 0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2935 1.4275 -0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2845 1.3731 0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 1.4182 -0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4556 0.1330 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 0.1088 -0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END > DB03553 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JFCQEDHGNNZCLN-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CCCC(O)=O > InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) > JFCQEDHGNNZCLN-UHFFFAOYSA-N > C5H8O4 > 132.1146 > 132.042258744 > 4 > 17 > -1.9976170204087897 > 12.169201851337222 > 1 > 2 > 0 > 0 > pentanedioic acid > -0.25 > 0.04608569766666663 > -0.37 > 0 > -2 > 0 > -2 > 4.5589990451010864 > 3.7599502336940396 > 74.6 > 28.137999999999998 > 4 > 1 > 5.60e+01 g/l > biotin > 0 $$$$