3121 -OEChem-10051719123D 26 25 0 0 0 0 0 0 0999 V2000 0.0361 -2.0835 0.9381 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0363 -1.6209 -1.2811 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0033 0.2266 0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2719 0.9645 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2906 0.9120 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5822 0.3510 0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 0.3283 0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 -1.2331 -0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8289 1.0594 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 1.0956 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0205 0.2489 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 2.0088 0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3027 0.9869 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3229 0.8661 -1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2442 1.9763 0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6438 -0.7010 0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5834 0.3685 1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -0.7237 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5748 0.3657 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8806 1.0230 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7283 0.5815 0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 2.1093 0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 2.1471 0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7237 0.6655 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8651 1.0526 -1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0365 -3.0220 0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 26 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 M END > DB00313 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NIJJYAXOARWZEE-UHFFFAOYSA-N/SDF?record_type=3d > CCCC(CCC)C(O)=O > InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) > NIJJYAXOARWZEE-UHFFFAOYSA-N > C8H16O2 > 144.2114 > 144.115029756 > 2 > 26 > -0.9862476851069626 > 16.996878483662726 > 1 > 1 > 0 > 0 > 2-propylpentanoic acid > 2.54 > 2.7984510709999997 > -1.79 > 0 > -1 > 0 > -1 > 5.144389811177235 > 37.3 > 40.2491 > 5 > 1 > 2.36e+00 g/l > tetrahydrofolic acid > 1 $$$$