449165 -OEChem-10051720173D 87 90 0 1 0 0 0 0 0999 V2000 -1.4399 1.4970 -0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4549 1.0094 0.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 1.5021 -1.9876 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2252 2.4502 2.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6422 -0.6537 1.4328 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7352 0.9416 -0.7226 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8537 3.4053 1.5499 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9197 -2.5776 -0.8095 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5877 3.4116 0.6009 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2102 -0.1952 -0.1502 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1080 -2.1842 2.0966 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8161 -2.7791 -1.4021 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 -0.5409 -3.0765 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6644 -2.4989 -1.4249 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4591 -3.7000 1.0814 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 -3.2039 1.6029 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 -0.4636 1.3514 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9329 0.0484 -0.4642 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0582 -0.0014 -0.1354 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7421 1.3326 0.3930 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1630 1.1925 1.8142 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7669 2.0286 -0.5816 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7062 0.7220 1.8084 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8692 1.5405 0.8235 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2949 1.7407 -0.0849 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3192 -0.4936 0.4264 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4190 2.3740 0.7374 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8567 0.8129 -1.1708 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3495 -2.0371 0.4400 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4771 2.9841 -0.1797 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9328 1.9946 -1.2534 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7533 -2.5634 0.7677 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7570 3.5528 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5065 0.1142 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8229 -2.0161 -0.1961 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6304 -0.5632 -0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7646 0.2940 -2.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3425 -0.7952 -1.1136 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -1.8514 -0.4388 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5077 0.3188 -1.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3225 -2.8926 0.2794 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3700 -2.2262 1.1714 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7781 0.0988 -1.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 -1.1294 0.4196 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6447 1.9541 0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7476 0.5012 2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0926 1.8221 -1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2621 0.8056 2.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 2.5785 1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7492 2.5606 -0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4209 -0.1885 1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -0.6474 0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8645 1.6467 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3502 -0.0567 -0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6406 -2.3858 1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0581 3.8730 -0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 2.5661 -1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7433 -3.6594 0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4519 3.8918 0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 3.9859 -1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7479 3.9681 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4571 1.1668 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8109 -2.1392 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0238 -0.2988 -1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2711 1.1176 -2.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9466 -1.2467 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1593 2.7183 2.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1584 -1.1586 2.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7797 -1.3911 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1805 1.0640 -2.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8554 -0.0805 -2.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7951 -3.5723 -0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4597 4.0728 0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9016 -1.8191 2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9349 -3.5466 -0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9877 -0.4170 -2.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5667 1.1485 -1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7640 -1.5544 -0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2517 4.0286 1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9663 -2.5933 2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0156 -3.7013 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 -0.8582 -3.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 -2.9087 -2.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0386 -3.1269 1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7437 -3.5785 0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7005 -0.0648 0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6551 0.4680 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 28 1 0 0 0 0 3 31 1 0 0 0 0 4 21 1 0 0 0 0 4 67 1 0 0 0 0 5 23 1 0 0 0 0 5 68 1 0 0 0 0 6 31 1 0 0 0 0 6 40 1 0 0 0 0 7 27 1 0 0 0 0 7 73 1 0 0 0 0 8 29 1 0 0 0 0 8 75 1 0 0 0 0 9 30 1 0 0 0 0 9 79 1 0 0 0 0 10 38 1 0 0 0 0 10 44 1 0 0 0 0 11 32 1 0 0 0 0 11 80 1 0 0 0 0 12 35 1 0 0 0 0 12 81 1 0 0 0 0 13 37 1 0 0 0 0 13 82 1 0 0 0 0 14 39 1 0 0 0 0 14 83 1 0 0 0 0 15 41 1 0 0 0 0 15 84 1 0 0 0 0 16 42 1 0 0 0 0 16 85 1 0 0 0 0 17 44 1 0 0 0 0 17 86 1 0 0 0 0 18 43 1 0 0 0 0 18 87 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 22 33 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 50 1 0 0 0 0 26 29 1 0 0 0 0 26 34 1 0 0 0 0 26 51 1 0 0 0 0 27 30 1 0 0 0 0 27 53 1 0 0 0 0 28 37 1 0 0 0 0 28 54 1 0 0 0 0 29 32 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 32 35 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 36 2 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 36 43 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 66 1 0 0 0 0 39 41 1 0 0 0 0 39 69 1 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 41 42 1 0 0 0 0 41 72 1 0 0 0 0 42 44 1 0 0 0 0 42 74 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 44 78 1 0 0 0 0 M END > DB03495 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FZLCJZILHGFQLM-PISLJJGOSA-N/SDF?record_type=3d > [H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(OC[C@@]3([H])O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O > InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(29)16(33)13(8)30)15(32)20(37)25(41-6)44-22-9(4-28)43-24(21(38)18(22)35)40-5-10-14(31)17(34)19(36)23(39)42-10/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14-,15+,16+,17+,18-,19-,20-,21-,22-,23-,24+,25-/m1/s1 > FZLCJZILHGFQLM-PISLJJGOSA-N > C25H43NO18 > 645.6048 > 645.248013577 > 19 > 87 > 0.5180923190218549 > 61.881272346776385 > 0 > 14 > 0 > 0 > (2R,3R,4S,5S,6R)-6-({[(2S,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol > -2.66 > -7.614558856666667 > -0.67 > 1 > 1 > 4 > 0 > 12.006002805292935 > 11.225308274261572 > 7.0315951976629965 > 321.17 > 137.60239999999996 > 9 > 0 > 1.38e+02 g/l > biotin > 0 $$$$