447027 -OEChem-10051720293D 42 42 0 1 0 0 0 0 0999 V2000 1.2043 0.7748 -0.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3033 -1.0072 -0.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4075 -1.8322 -0.2878 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6119 0.5201 -1.5377 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8195 -2.7842 0.5848 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4365 3.4621 0.4925 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4251 -1.0048 0.3292 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6090 0.4481 -0.1105 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0331 -1.5178 -0.0383 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4575 1.3029 0.4301 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9529 -0.5489 0.4480 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5383 2.7500 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 -0.1565 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 -0.7059 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8578 0.1762 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 -0.3543 -0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3868 0.5416 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7065 -0.0643 -0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5768 -1.0832 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 0.8261 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9579 -1.6828 -1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4506 1.2899 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9056 -0.5517 1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4804 2.8306 -1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4617 3.2275 0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2102 0.8572 -0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3998 -0.1148 1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6115 -0.7888 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8228 -1.7274 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2434 -2.7457 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7124 0.3334 -1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9198 -3.0733 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8935 0.2679 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7026 1.1871 -0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 -0.4649 -1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3656 -1.3577 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 3.0204 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4131 0.6876 1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2627 1.5295 -0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7232 -0.1991 -1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8735 -1.0386 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5383 0.5921 -0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 30 1 0 0 0 0 4 8 1 0 0 0 0 4 31 1 0 0 0 0 5 9 1 0 0 0 0 5 32 1 0 0 0 0 6 12 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 M END > DB04141 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JVAZJLFFSJARQM-YBXAARCKSA-N/SDF?record_type=3d > [H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O > InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9+,10+,11-,12-/m1/s1 > JVAZJLFFSJARQM-YBXAARCKSA-N > C12H24O6 > 264.3154 > 264.1572885 > 6 > 42 > -7.07685840950958e-06 > 28.11138906320273 > 1 > 4 > 0 > 1 > (2R,3R,4S,5R,6R)-2-(hexyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol > 0.14 > -0.07637636966666621 > -0.67 > 0 > 0 > 1 > 0 > 13.200256715324073 > 12.210987486903672 > -2.9810834105517934 > 99.38000000000001 > 63.7502 > 7 > 1 > 5.70e+01 g/l > tetrahydrofolic acid > 0 $$$$