5288910 -OEChem-10051720393D 71 73 0 1 0 0 0 0 0999 V2000 0.2860 0.0961 0.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7608 -2.1603 0.3836 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4871 -0.4728 0.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6727 2.2774 1.7588 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 0.7010 -1.7345 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1584 -3.1969 -0.4488 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 -0.8406 -0.9034 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 -4.0947 -1.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1817 -0.8162 0.8158 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8684 2.8982 1.2941 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0407 1.9162 0.8244 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1147 2.7256 -1.6493 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3852 3.1603 2.9926 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6285 -3.8838 1.4232 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -0.7628 -1.0592 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8041 1.3264 -1.1114 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5234 -1.4627 -0.1051 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5247 0.4835 0.6086 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1988 -1.1230 0.5821 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0252 -2.8371 0.3366 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5873 0.5026 -0.4925 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9292 -3.8938 0.1946 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3991 1.8623 1.2619 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3402 -3.4237 0.9133 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8962 1.1279 -0.0007 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4433 -0.2776 -0.7865 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7979 0.1169 -0.1897 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6381 2.4538 0.7235 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7343 1.5184 0.4167 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1707 2.5217 -0.5951 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8432 2.0122 -1.1730 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4337 1.8562 2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4993 -4.3983 0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3058 2.9146 -2.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 0.3582 -1.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4996 0.8150 -2.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3631 -1.4444 -1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 -0.2291 1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3607 -0.9660 1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 -2.7831 1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2073 1.0326 -1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2698 -4.8556 0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0443 2.6075 0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1453 -3.2900 1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3842 0.4315 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6039 -1.1934 -1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5652 0.0910 -0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2922 3.2267 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1126 1.5057 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0356 3.4922 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 1.9620 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 1.1720 3.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 1.5769 2.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7844 -4.5004 -0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -5.3888 1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 2.1953 -1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4562 -4.0723 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1654 -1.3377 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -4.3505 -1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 2.8881 -3.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3187 2.5630 -2.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2086 3.9494 -1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -0.5173 1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8029 3.8628 1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5949 1.9760 0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8485 3.5244 -2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2888 3.4004 3.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 -3.8160 2.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8925 1.8215 -2.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8663 0.8172 -3.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3408 0.1342 -2.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 2 24 1 0 0 0 0 3 17 1 0 0 0 0 3 26 1 0 0 0 0 4 23 1 0 0 0 0 4 28 1 0 0 0 0 5 26 1 0 0 0 0 5 31 1 0 0 0 0 6 20 1 0 0 0 0 6 57 1 0 0 0 0 7 21 1 0 0 0 0 7 58 1 0 0 0 0 8 22 1 0 0 0 0 8 59 1 0 0 0 0 9 27 1 0 0 0 0 9 63 1 0 0 0 0 10 28 1 0 0 0 0 10 64 1 0 0 0 0 11 29 1 0 0 0 0 11 65 1 0 0 0 0 12 30 1 0 0 0 0 12 66 1 0 0 0 0 13 32 1 0 0 0 0 13 67 1 0 0 0 0 14 33 1 0 0 0 0 14 68 1 0 0 0 0 15 35 2 0 0 0 0 16 25 1 0 0 0 0 16 35 1 0 0 0 0 16 56 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 25 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 32 1 0 0 0 0 23 43 1 0 0 0 0 24 33 1 0 0 0 0 24 44 1 0 0 0 0 25 28 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 34 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 M END > DB04678 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PHTAQVMXYWFMHF-QVPNGJTFSA-N/SDF?record_type=3d > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-8(4-23)33-18(31)9(12(16)27)21-6(2)24/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1 > PHTAQVMXYWFMHF-QVPNGJTFSA-N > C20H35NO15 > 529.4896 > 529.200669455 > 15 > 71 > -5.3324956589636326e-05 > 50.097629241621604 > 0 > 10 > 0 > 0 > N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > -2.29 > -5.715335736333333 > -0.45 > 1 > 0 > 3 > 0 > 12.125860294738072 > 11.444740127039177 > -3.5245931167012725 > 257.31999999999994 > 110.30760000000002 > 7 > 0 > 1.86e+02 g/l > tetrahydrofolic acid > 0 $$$$