220224 -OEChem-02132020523D 19 18 0 0 0 0 0 0 0999 V2000 -0.0104 -1.0194 0.3823 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 0.2157 -0.1282 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4712 -0.5060 -0.0507 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 -2.3095 -0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2821 0.2509 0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 0.8227 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9648 1.4688 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2498 1.0769 -0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -0.8779 1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7935 -0.6617 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2946 0.2962 1.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1574 1.5294 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7891 0.9552 1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0066 1.5276 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4465 2.3844 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9391 1.4368 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5694 2.0957 0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9523 0.3714 0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3097 0.9300 -1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 M END > DB02811 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MJUJXFBTEFXVKU-UHFFFAOYSA-N/SDF?record_type=3d > [H]P(=O)(OCC)OCC > InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3 > MJUJXFBTEFXVKU-UHFFFAOYSA-N > C4H11O3P > 138.1021 > 138.04458073 > 1 > 19 > 0.0 > 13.103227789733547 > 1 > 0 > 0 > 0 > diethyl phosphonate > -0.02 > 0.6910000000000002 > -0.34 > 0 > 0 > 0 > 0 > -7.75606619005717 > 35.53 > 31.033900000000003 > 4 > 1 > 6.38e+01 g/l > 3-hydroxy-tetradecanoic acid > 1 $$$$