447793 -OEChem-10051720003D 78 79 0 1 0 0 0 0 0999 V2000 2.0281 1.0535 -0.2874 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5812 0.7828 -0.8471 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 -0.9022 0.5635 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4102 1.9184 0.0525 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8914 2.1322 2.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6398 3.5258 1.5658 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0385 2.6274 0.8771 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 1.3723 -0.1519 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8395 -0.8585 -1.8612 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 -0.5520 -3.0864 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -3.2534 -1.1335 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 0.9469 0.0759 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2434 2.1872 0.8698 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1946 0.8067 -1.1901 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8766 0.5060 0.7200 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2710 2.2384 1.0719 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2274 1.2188 0.8013 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1118 0.8907 -0.3999 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0157 1.9980 -0.2413 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1848 -0.6221 -0.6171 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7843 -1.2499 -0.6240 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1165 -0.4856 -1.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -2.7741 -0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2015 2.1528 -1.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6721 2.0329 -0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0016 0.6392 -0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7616 -0.4755 -1.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9945 -1.9036 -0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1619 -2.3224 0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6543 -2.1812 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 -2.6736 1.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 -2.6410 1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 -3.0892 2.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9832 -3.0457 2.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4978 0.0538 0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6079 3.0977 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 1.6468 -1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4284 0.6121 1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 1.5078 1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 0.9080 1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7591 1.4076 -1.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8401 2.8387 -0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7999 -1.0789 0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2258 -0.8941 -1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 -0.5157 -2.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -1.3630 -1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 -3.1217 -1.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0401 -3.2045 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5147 1.3873 2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3704 4.1896 0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4605 2.8048 1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0204 3.1758 -1.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9234 1.4733 -1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7703 0.9373 0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2843 -0.4875 -2.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9095 2.7639 0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2973 2.2623 -1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4185 0.4538 0.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0558 0.6189 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4982 -1.3833 -3.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7428 -0.4292 -1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4222 -0.3064 -2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 -2.0204 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7947 -2.5996 -1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6402 -4.2241 -1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4621 -1.7398 1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3954 -3.3690 0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -1.1327 0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3664 -2.7428 -0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1145 -3.7037 1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0745 -2.0695 2.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -3.2758 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0062 -1.6190 1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7626 -2.4456 3.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8078 -4.1110 2.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2612 -3.6677 1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -3.4124 3.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 -2.0201 2.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 4 19 1 0 0 0 0 4 24 1 0 0 0 0 5 13 1 0 0 0 0 5 49 1 0 0 0 0 6 16 1 0 0 0 0 6 50 1 0 0 0 0 7 17 1 0 0 0 0 7 51 1 0 0 0 0 8 18 1 0 0 0 0 8 54 1 0 0 0 0 9 20 1 0 0 0 0 9 55 1 0 0 0 0 10 22 1 0 0 0 0 10 60 1 0 0 0 0 11 23 1 0 0 0 0 11 65 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 14 22 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 16 19 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 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 31 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 32 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 32 33 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 33 34 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 M END > DB02686 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UYEMNFYVTFDKRG-ZNGNCRBCSA-N/SDF?record_type=3d > [H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(OCCCCCCCCCCC)O[C@]2([H])CO)[C@]1([H])O > InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1 > UYEMNFYVTFDKRG-ZNGNCRBCSA-N > C23H44O11 > 496.5889 > 496.28836225 > 11 > 78 > -1.900699229922346e-05 > 54.72541001496254 > 0 > 7 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(undecyloxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 1.02 > 0.3756313096666663 > -2.11 > 0 > 0 > 2 > 0 > 12.486202997409407 > 11.939975979773823 > -2.9810835652988272 > 178.52999999999997 > 119.16849999999995 > 15 > 0 > 3.84e+00 g/l > tetrahydrofolic acid > 0 $$$$