448297 -OEChem-10051721013D 49 49 0 1 0 0 0 0 0999 V2000 2.2372 0.8218 -0.2218 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 -0.8496 -0.2858 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8038 0.3963 -1.4659 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5576 -2.7345 0.5938 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8495 3.5964 0.5838 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3547 -1.9885 -0.0386 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3133 -1.0662 0.4195 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6175 0.3651 -0.0494 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9291 -1.5237 -0.0635 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4643 1.3009 0.3399 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8678 -0.4666 0.2682 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6736 2.7230 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4688 -0.1789 0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 -0.6456 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 0.0505 0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2942 -0.4561 -0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5354 0.2260 0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8424 -0.2268 -0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0393 0.5372 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3371 0.1195 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3259 -1.0844 1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5516 0.7163 0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9316 -1.7223 -1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 1.3214 1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7593 -0.4120 1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7104 3.0425 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4045 2.8204 -1.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2556 -1.7054 0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1663 -2.9225 0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 0.9042 0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -0.4120 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -0.4576 -1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8639 -1.7335 -0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 0.2129 -1.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5638 -2.5723 1.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9023 1.1337 0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9869 -0.1268 1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2752 -0.2951 -1.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 -1.5389 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4312 1.3117 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5812 0.0301 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7840 -0.0634 -1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9786 -1.3033 -0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0021 4.4957 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1172 0.3574 1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8948 1.6148 0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5284 -0.9484 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3034 0.3189 -1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1793 0.6764 0.0074 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 8 1 0 0 0 0 3 34 1 0 0 0 0 4 9 1 0 0 0 0 4 35 1 0 0 0 0 5 12 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 25 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 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 M END > DB07378 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HABUHWBZDNZBSI-MBJXGIAVSA-N/SDF?record_type=3d > [H][C@]1(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCC)[C@]1([H])O > InChI=1S/C14H29NO5/c1-2-3-4-5-6-7-8-19-14-13(18)11(15)12(17)10(9-16)20-14/h10-14,16-18H,2-9,15H2,1H3/t10-,11+,12+,13-,14-/m1/s1 > HABUHWBZDNZBSI-MBJXGIAVSA-N > C14H29NO5 > 291.3838 > 291.204573043 > 6 > 49 > 0.9848054871191722 > 33.607772719871335 > 1 > 4 > 0 > 1 > (2R,3R,4S,5R,6R)-4-amino-2-(hydroxymethyl)-6-(octyloxy)oxane-3,5-diol > 0.51 > 0.7058791636666661 > -1.46 > 0 > 1 > 1 > 1 > 13.59271588328878 > 12.674377720751824 > 8.811733713140699 > 105.17 > 74.6097 > 9 > 1 > 1.00e+01 g/l > tetrahydrofolic acid > 0 $$$$