444761 -OEChem-10051719543D 32 32 0 1 0 0 0 0 0999 V2000 -2.8617 1.6853 0.1320 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5082 1.0936 -0.0032 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 -0.2616 0.6211 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -1.7324 -2.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 -3.3792 1.2014 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 0.3784 0.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9973 1.0926 1.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6876 2.5570 -0.9409 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7198 2.3730 0.7961 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1596 1.2684 -1.5726 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6014 -0.0981 0.0043 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9328 2.3476 0.7034 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6999 -0.8208 0.0223 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2441 -2.0696 -0.7229 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1117 -2.5695 0.1517 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4839 -1.2898 0.7388 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3773 0.2372 -0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7232 -0.8122 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3563 -1.1060 0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0649 -2.7835 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6257 -3.1684 -0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7095 -1.3905 1.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2614 -0.1813 -1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6962 0.6033 -1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4867 -0.5944 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 -1.5762 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4173 -2.5520 -2.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1094 -3.6447 1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4169 1.6846 1.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0483 3.4287 -0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 1.7481 -2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5291 0.1075 -0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 17 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 15 1 0 0 0 0 5 28 1 0 0 0 0 6 18 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 M END > DB02393 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YBOWGOLYQKBCFB-JGWLITMVSA-N/SDF?record_type=3d > [H][C@]1(O)[C@]([H])(O)[C@]([H])(CP(O)(O)=O)O[C@]1([H])COP(O)(O)=O > InChI=1S/C6H14O10P2/c7-5-3(1-15-18(12,13)14)16-4(6(5)8)2-17(9,10)11/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1 > YBOWGOLYQKBCFB-JGWLITMVSA-N > C6H14O10P2 > 308.1169 > 308.006219692 > 9 > 32 > -3.017977285417525 > 23.568756543131958 > 1 > 6 > 0 > 0 > {[(2R,3S,4S,5R)-3,4-dihydroxy-5-(phosphonomethyl)oxolan-2-yl]methoxy}phosphonic acid > -1.64 > -3.529336245333333 > -1.15 > 0 > -3 > 1 > -3 > 1.8765468082639631 > 1.1191532700906521 > -3.62567116003957 > 173.98 > 54.8069 > 5 > 0 > 2.18e+01 g/l > biotin > 0 $$$$