385 -OEChem-10051719433D 23 22 0 0 0 0 0 0 0999 V2000 -4.9033 -0.6385 0.0279 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8872 -0.6423 0.0129 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8423 1.3684 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8315 1.3740 -0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 -0.7050 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2547 0.1560 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2716 0.1631 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5315 -0.6835 -0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 -0.6921 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7948 0.1466 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 0.1533 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 -1.3594 0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 -1.3520 -0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2315 0.8295 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 0.7960 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 0.8044 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 0.8320 -0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5517 -1.2696 -0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 -1.3710 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 -1.3312 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -1.3243 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7263 -0.1067 0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7168 -0.1189 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 22 1 0 0 0 0 2 11 1 0 0 0 0 2 23 1 0 0 0 0 3 10 2 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 M END > DB01856 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WLJVNTCWHIRURA-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CCCCCC(O)=O > InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) > WLJVNTCWHIRURA-UHFFFAOYSA-N > C7H12O4 > 160.1678 > 160.073558872 > 4 > 23 > 16.309765941205747 > 1 > 2 > 0 > 0 > heptanedioic acid > 0.51 > 0.9352230276666667 > -1.08 > 0 > 0 > -2 > 4.8101291244285145 > 4.045044284282043 > 74.6 > 37.339999999999996 > 6 > 1 > 1.33e+01 g/l > pimelic acid > 0 $$$$