16124 -OEChem-06171813053D 15 14 0 0 0 0 0 0 0999 V2000 1.6360 0.0423 -0.1202 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.5594 -0.0749 -0.0471 P 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -1.4954 0.3696 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5609 0.8829 1.2573 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 1.0105 1.1473 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6627 0.4453 -1.1063 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7877 0.3806 -1.0185 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 -1.5067 0.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0085 0.3155 -0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0316 1.3749 -1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 -0.2501 -1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3596 -1.8984 0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3523 0.9192 1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 0.9825 1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6137 0.3133 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 8 2 0 0 0 0 2 9 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > DB14078 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MBKDYNNUVRNNRF-UHFFFAOYSA-N/SDF?record_type=3d > OP(O)(=O)CP(O)(O)=O > InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7) > MBKDYNNUVRNNRF-UHFFFAOYSA-N > CH6O6P2 > 176.0023 > 175.963960948 > 6 > 15 > 11.21514705335768 > 1 > 4 > 0 > 0 > (phosphonomethyl)phosphonic acid > -0.97 > -2.35491473 > -1.04 > 0 > 0 > -2 > 2.023613473644355 > 1.2687747793575692 > 115.06 > 27.878499999999995 > 2 > 1 > 1.60e+01 g/l > methylene diphosphonate > 0 $$$$