46937051 -OEChem-10051720563D 40 42 0 1 0 0 0 0 0999 V2000 -4.4961 -1.5349 0.1289 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0626 0.9300 0.9584 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3077 3.8464 0.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5388 -0.3220 0.6131 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6326 -2.2675 -1.0257 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6549 -0.7715 -0.7013 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9887 -2.4306 1.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0971 0.1506 0.1191 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1634 1.3190 0.3111 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2366 1.9867 -0.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5614 2.6181 -0.6405 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1669 1.6132 0.3310 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0312 0.5697 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4723 0.2146 0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6872 -1.1373 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9469 -1.0811 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8095 -1.9234 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3235 1.3092 0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3389 -1.2973 -0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7004 1.0707 0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2025 -0.2117 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9358 -2.6508 -0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6737 2.0143 0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5213 2.7026 -1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3778 1.2394 -1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 2.8354 -1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7365 2.0976 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 -0.0030 -1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8626 1.0551 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3618 -1.3952 -0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 4.2131 0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8029 -2.9897 -0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9436 2.3122 0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3892 1.8996 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2798 -0.3602 0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5498 -2.9378 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1739 -3.4235 -0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5648 -2.6424 -1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4220 -1.2874 -1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9827 -3.0894 -1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 11 1 0 0 0 0 3 31 1 0 0 0 0 4 13 1 0 0 0 0 5 40 1 0 0 0 0 6 39 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 17 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END > DB07116 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UXXYPWCUINVUHL-BFHYXJOUSA-N/SDF?record_type=3d > [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=CC2=C(C)C=CC=C12 > InChI=1S/C14H18NO6P/c1-9-3-2-4-11-10(9)5-6-15(11)14-7-12(16)13(21-14)8-20-22(17,18)19/h2-6,12-14,16H,7-8H2,1H3,(H2,17,18,19)/t12-,13+,14+/m0/s1 > UXXYPWCUINVUHL-BFHYXJOUSA-N > C14H18NO6P > 327.2696 > 327.087173825 > 5 > 40 > -1.9169901260177622 > 31.444408436052683 > 1 > 3 > 0 > 1 > {[(2R,3S,5R)-3-hydroxy-5-(4-methyl-1H-indol-1-yl)oxolan-2-yl]methoxy}phosphonic acid > 0.69 > 1.8025500883333332 > -2.45 > 0 > -2 > 3 > -2 > 6.257785941552578 > 1.2319680632568932 > -3.2446983035277674 > 101.15 > 78.14420000000001 > 4 > 1 > 1.15e+00 g/l > biotin > 0 $$$$