192826 -OEChem-10051720123D 66 68 0 1 0 0 0 0 0999 V2000 -0.7128 0.4530 0.4767 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1501 0.3462 -0.3496 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4402 0.1323 -1.0724 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3619 0.8017 0.3722 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5726 -1.7388 1.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 3.3596 -1.3445 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.1391 -2.2588 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6229 1.9383 -0.5966 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 -0.6369 -2.7828 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0853 -2.5836 -1.8788 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -2.7310 0.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1063 0.5395 -0.0956 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9221 3.1631 2.3083 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2985 -2.1406 -0.2935 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -3.4355 1.2865 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8109 0.9891 3.0584 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4121 1.5470 -0.1020 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8045 2.0009 -1.4356 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4038 1.1489 -1.8310 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3621 1.2542 0.9838 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3794 0.9930 -0.6625 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3969 -0.0448 -0.0304 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4897 0.6325 -0.7471 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7354 0.5155 -0.5158 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5174 -1.5303 0.3358 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0528 -0.4134 -1.7106 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3365 -1.7372 -1.0035 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1638 -1.5044 0.2624 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8535 0.1577 0.4612 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5494 -0.3983 1.1311 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1646 2.5063 1.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8547 -1.3347 0.7965 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2381 -2.0697 0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4402 -0.0403 2.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0956 2.3141 0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5456 1.9461 -2.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9373 1.5990 -2.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 0.6352 1.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8138 1.9685 -0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1184 0.5156 0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5095 1.5840 -1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9679 0.1659 -1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -2.1317 -0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9896 -0.0421 -2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4052 -2.2706 -0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1928 -1.2432 -0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7138 0.7374 1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5749 -0.7131 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9033 2.2310 2.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6489 3.2043 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5733 -1.4979 1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -1.5420 1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3909 -2.0008 0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1707 3.8920 -1.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6295 -0.0077 -3.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4095 0.3384 1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5984 -0.9023 2.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 2.2783 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 0.2151 -3.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9151 -2.1293 -2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -2.9530 1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7970 0.3007 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 3.9460 2.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6910 -2.9454 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6102 -3.7580 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 1.2032 3.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 4 30 1 0 0 0 0 5 25 1 0 0 0 0 5 32 1 0 0 0 0 6 18 1 0 0 0 0 6 54 1 0 0 0 0 7 19 1 0 0 0 0 7 55 1 0 0 0 0 8 24 1 0 0 0 0 8 58 1 0 0 0 0 9 26 1 0 0 0 0 9 59 1 0 0 0 0 10 27 1 0 0 0 0 10 60 1 0 0 0 0 11 28 1 0 0 0 0 11 61 1 0 0 0 0 12 29 1 0 0 0 0 12 62 1 0 0 0 0 13 31 1 0 0 0 0 13 63 1 0 0 0 0 14 32 1 0 0 0 0 14 64 1 0 0 0 0 15 33 1 0 0 0 0 15 65 1 0 0 0 0 16 34 1 0 0 0 0 16 66 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 31 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 40 1 0 0 0 0 23 26 1 0 0 0 0 23 41 1 0 0 0 0 24 29 1 0 0 0 0 24 42 1 0 0 0 0 25 33 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 29 32 1 0 0 0 0 29 47 1 0 0 0 0 30 34 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 M END > DB03277 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FYGDTMLNYKFZSV-PXXRMHSHSA-N/SDF?record_type=3d > [H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O > InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-/m1/s1 > FYGDTMLNYKFZSV-PXXRMHSHSA-N > C18H32O16 > 504.4371 > 504.169034976 > 16 > 66 > -8.102550319180806e-05 > 46.574034827393156 > 0 > 11 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -2.74 > -6.474210509333335 > 0.04 > 1 > 0 > 3 > 0 > 11.96130612207531 > 11.215222724145232 > -3.648377575201405 > 268.67999999999995 > 100.75 > 7 > 0 > 5.54e+02 g/l > tetrahydrofolic acid > 0 $$$$