444397 -OEChem-10051720283D 26 25 0 1 0 0 0 0 0999 V2000 -1.1597 2.0925 -0.0428 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3097 -0.4425 -1.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3137 -1.5668 0.1889 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4767 0.9314 0.4364 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9495 0.9964 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 -0.3334 0.0409 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8623 -0.1213 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2357 -0.0600 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6889 -0.3471 0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1593 -1.1491 0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4382 1.0098 1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 1.9671 0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9202 0.9959 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7545 -1.2336 0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4213 -1.1012 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -0.0399 1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 0.9181 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 -0.1700 -1.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7008 -0.2776 1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2786 0.4713 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7438 -2.1429 0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1351 -1.0865 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -1.0474 1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2506 2.0046 -1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4224 -0.6894 -1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2185 -1.5487 0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 24 1 0 0 0 0 2 6 1 0 0 0 0 2 25 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 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 9 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 M END > DB04079 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HXYCHJFUBNTKQR-RNFRBKRXSA-N/SDF?record_type=3d > [H][C@@](O)(CO)[C@]([H])(O)CCCC > InChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3/t6-,7-/m1/s1 > HXYCHJFUBNTKQR-RNFRBKRXSA-N > C7H16O3 > 148.2001 > 148.109944378 > 3 > 26 > -4.7227942413186367e-07 > 16.736461998896324 > 1 > 3 > 0 > 0 > (2R,3R)-heptane-1,2,3-triol > -0.26 > -0.010779272999999659 > 0.15 > 0 > 0 > 0 > 0 > 14.85558612303312 > 13.340086027198405 > -2.9720207255961544 > 60.69 > 38.6609 > 5 > 1 > 2.10e+02 g/l > tetrahydrofolic acid > 0 $$$$