7966 -OEChem-10051720203D 19 19 0 0 0 0 0 0 0999 V2000 2.3952 0.0001 -0.1198 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 0.0000 0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3402 1.2640 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3405 -1.2639 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1391 1.2639 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1389 -1.2641 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -0.0001 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 0.0054 1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 1.3476 -1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8338 2.1497 0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8316 -2.1508 0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4529 -1.3477 -1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6271 2.1467 -0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2419 1.3385 1.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2416 -1.3386 1.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 -2.1469 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8821 -0.0001 0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8661 0.0000 -1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -0.8088 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 M END > DB03703 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HPXRVTGHNJAIIH-UHFFFAOYSA-N/SDF?record_type=3d > OC1CCCCC1 > InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 > HPXRVTGHNJAIIH-UHFFFAOYSA-N > C6H12O > 100.1589 > 100.088815006 > 1 > 19 > 3.917035082967258e-09 > 11.941435170986574 > 1 > 1 > 0 > 0 > cyclohexanol > 1.35 > 1.2806934630000002 > -0.77 > 0 > 0 > 1 > 0 > 18.183546936516187 > -1.4063165699678188 > 20.23 > 29.275499999999997 > 0 > 1 > 1.72e+01 g/l > tetrahydrofolic acid > 1 $$$$