448294 -OEChem-10051720223D 41 41 0 1 0 0 0 0 0999 V2000 -1.4935 -0.5954 -0.0476 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1032 1.1063 -0.0927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9547 -0.2591 -1.5298 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9301 3.0046 0.4556 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8455 -3.2590 0.4908 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8868 -0.1528 -0.1086 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6240 1.3006 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2061 1.7258 -0.1080 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7658 -1.0554 0.4215 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1766 0.7195 0.4064 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9227 -2.5023 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 0.2157 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4581 0.6902 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5958 -0.2379 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 0.2171 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1055 -0.7252 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4554 -0.1926 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8571 -0.4647 0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 1.9673 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7725 1.4326 1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1253 1.8229 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -1.0313 1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1358 0.7367 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8812 -2.6009 -1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8618 -2.9330 0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9199 -0.7980 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1464 0.1966 1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 0.7518 -1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6526 1.7115 0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6198 -0.3070 1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3955 -1.2489 -0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3844 -1.1045 -1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9906 2.9270 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9447 0.3054 -1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1752 1.2206 0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1176 -0.8484 1.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9377 -1.7160 -0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0201 -2.8577 0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2533 -0.8813 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4857 -0.0828 -1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6653 0.7828 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 32 1 0 0 0 0 4 8 1 0 0 0 0 4 33 1 0 0 0 0 5 11 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 M END > DB03772 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TXGXIVBQPNUSRY-DDHJBXDOSA-N/SDF?record_type=3d > [H][C@@]1(O)C[C@@]([H])(O)[C@]([H])(OCCCCCC)O[C@]1([H])CO > InChI=1S/C12H24O5/c1-2-3-4-5-6-16-12-10(15)7-9(14)11(8-13)17-12/h9-15H,2-8H2,1H3/t9-,10-,11-,12-/m1/s1 > TXGXIVBQPNUSRY-DDHJBXDOSA-N > C12H24O5 > 248.316 > 248.162373878 > 5 > 41 > -6.836419520542542e-07 > 27.88927929915116 > 1 > 3 > 0 > 1 > (2R,3R,5R,6R)-2-(hexyloxy)-6-(hydroxymethyl)oxane-3,5-diol > 0.40 > 0.6139183113333337 > -0.80 > 0 > 0 > 1 > 0 > 14.081192381822335 > 13.231920542766318 > -2.978950975202011 > 79.15 > 62.653099999999995 > 7 > 1 > 3.90e+01 g/l > biotin > 0 $$$$