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0.9581 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6572 -3.2226 -0.3543 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2078 -0.4819 -0.2994 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7631 0.3185 -0.3273 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5465 -1.4447 0.8388 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4112 0.0056 -1.7819 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0038 -0.1464 -1.0369 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1077 -0.7875 -1.8775 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4182 -0.2731 -1.2125 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8468 -1.0430 1.5350 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5605 0.9175 0.4056 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9597 -0.7741 0.5221 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1766 0.0035 0.3538 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9816 0.6918 0.3696 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5223 1.4910 0.4242 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3797 -0.8533 0.7548 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0886 1.7461 0.3656 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3953 1.1826 0.9243 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7381 -0.1613 0.2812 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1409 0.7731 -2.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8296 1.7906 -0.3094 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5332 -1.1044 0.3186 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8510 1.1295 1.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9346 0.8184 0.1040 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0961 -2.3419 0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8139 -2.4087 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9486 0.4909 0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 -0.6278 0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5986 -2.4761 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3564 0.9268 -2.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7087 0.8203 -1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2681 -1.8280 -1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6972 -1.2099 -1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6863 -0.1642 2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2804 1.8873 -0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2537 -1.7062 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 -0.2372 -0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6947 0.4429 1.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5684 1.8289 1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6516 -0.6798 1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2409 2.1380 -0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3480 1.0927 2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0667 -0.0018 -0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9187 1.7466 -1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3126 0.4743 -2.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6767 1.7588 -1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2588 -1.3533 1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6825 1.8237 2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0748 0.1785 2.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2415 0.9867 1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3992 -0.5040 2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5537 -1.5894 -1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5193 0.0940 -3.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2616 -2.6692 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8797 -2.5792 -0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4236 -2.8904 1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6521 -2.9518 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0271 -2.2192 -1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 1.9400 -1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5156 2.5157 2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5183 2.2050 -0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5384 -0.9154 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3979 3.1649 0.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1061 1.5943 -3.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9008 1.7941 3.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8525 0.7566 -0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -4.0117 0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8557 -4.0437 -0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 2 30 1 0 0 0 0 3 28 1 0 0 0 0 3 31 1 0 0 0 0 4 23 1 0 0 0 0 4 33 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 41 1 0 0 0 0 7 24 1 0 0 0 0 7 70 1 0 0 0 0 8 35 1 0 0 0 0 8 43 1 0 0 0 0 9 25 1 0 0 0 0 9 71 1 0 0 0 0 10 27 1 0 0 0 0 10 72 1 0 0 0 0 11 29 1 0 0 0 0 11 75 1 0 0 0 0 12 34 1 0 0 0 0 12 78 1 0 0 0 0 13 36 1 0 0 0 0 13 79 1 0 0 0 0 14 37 1 0 0 0 0 14 80 1 0 0 0 0 15 38 1 0 0 0 0 15 81 1 0 0 0 0 16 40 1 0 0 0 0 16 82 1 0 0 0 0 17 39 1 0 0 0 0 17 83 1 0 0 0 0 18 42 1 0 0 0 0 18 84 1 0 0 0 0 19 43 1 0 0 0 0 19 85 1 0 0 0 0 20 44 1 0 0 0 0 20 86 1 0 0 0 0 21 45 1 0 0 0 0 21 87 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 22 46 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 23 47 1 0 0 0 0 24 29 1 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 39 1 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 30 42 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 32 56 1 0 0 0 0 33 36 1 0 0 0 0 33 57 1 0 0 0 0 34 40 1 0 0 0 0 34 58 1 0 0 0 0 35 44 1 0 0 0 0 35 59 1 0 0 0 0 36 37 1 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 41 1 0 0 0 0 38 62 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 40 43 1 0 0 0 0 40 65 1 0 0 0 0 41 45 1 0 0 0 0 41 66 1 0 0 0 0 42 67 1 0 0 0 0 42 68 1 0 0 0 0 43 69 1 0 0 0 0 44 73 1 0 0 0 0 44 74 1 0 0 0 0 45 76 1 0 0 0 0 45 77 1 0 0 0 0 M END > DB02717 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LUEWUZLMQUOBSB-HGDSAIHNSA-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@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([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/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1 > LUEWUZLMQUOBSB-HGDSAIHNSA-N > C24H42O21 > 666.5777 > 666.221858406 > 21 > 87 > -8.913775593042042e-05 > 61.59394228649407 > 0 > 14 > 0 > 0 > (2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -2.69 > -8.245046155 > -0.28 > 1 > 0 > 4 > 0 > 11.867979094355297 > 11.191626386596173 > -3.685322227064877 > 347.8300000000001 > 133.16329999999996 > 10 > 0 > 3.50e+02 g/l > tetrahydrofolic acid > 0 $$$$