43814 -OEChem-10061700303D 18 18 0 1 0 0 0 0 0999 V2000 3.0132 -1.7562 -0.1112 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0109 -0.4459 -0.3695 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5479 1.8033 0.0428 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4752 -1.7337 0.1999 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0734 0.1980 0.3053 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8698 1.6550 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0569 0.5355 -0.3931 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3998 -0.3626 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 0.1066 0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9295 0.0157 1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1824 1.8956 -1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3643 2.3345 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3989 0.6413 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 -0.3020 -1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2359 0.1693 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8221 0.0042 1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 0.8802 0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3353 -2.0642 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 M END > DB13768 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NEIPZWZQHXCYDV-UHFFFAOYSA-N/SDF?record_type=3d > OCC1COC(CI)O1 > InChI=1S/C5H9IO3/c6-1-5-8-3-4(2-7)9-5/h4-5,7H,1-3H2 > NEIPZWZQHXCYDV-UHFFFAOYSA-N > C5H9IO3 > 244.028 > 243.95964 > 3 > 18 > 16.881446217172822 > 1 > 1 > 0 > 0 > [2-(iodomethyl)-1,3-dioxolan-4-yl]methanol > 0.43 > 0.4972460166666667 > -1.15 > 0 > 1 > 0 > 14.596994650733148 > -2.97507453976932 > 38.69 > 40.626999999999995 > 2 > 1 > 1.73e+01 g/l > mucolitico > 1 $$$$