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0 0 0 0 0 0 0 0 3.5724 -10.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2881 -10.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1460 -8.6625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4302 -8.6625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4315 -9.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 -9.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2894 -9.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -9.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5737 -9.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7184 -9.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 -9.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0026 -9.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -7.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8605 -9.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1447 -9.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -8.6625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -8.6625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -8.6625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5757 -5.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6157 -10.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8999 -10.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1914 -8.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 -8.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4757 -8.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6737 -5.5555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1494 -8.2998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4336 -8.2998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5716 -10.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -10.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8558 -10.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4736 -10.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0421 -10.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7578 -10.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6157 -8.0305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8999 -8.0305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1494 -10.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4336 -10.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0073 -8.2998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5757 -8.2998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2915 -8.2998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -10.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -10.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -10.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 1 0 0 0 8 2 1 6 0 0 0 9 3 1 6 0 0 0 10 4 1 1 0 0 0 11 5 1 1 0 0 0 12 6 1 1 0 0 0 13 7 1 0 0 0 0 14 13 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 14 1 0 0 0 0 24 15 1 0 0 0 0 25 16 1 0 0 0 0 26 8 1 0 0 0 0 26 15 1 0 0 0 0 27 9 1 0 0 0 0 27 16 1 0 0 0 0 28 10 1 0 0 0 0 28 17 1 0 0 0 0 29 11 1 0 0 0 0 29 18 1 0 0 0 0 30 12 1 0 0 0 0 30 19 1 0 0 0 0 31 20 1 0 0 0 0 32 21 1 0 0 0 0 33 22 1 0 0 0 0 34 23 1 0 0 0 0 35 24 1 0 0 0 0 36 25 1 0 0 0 0 37 1 1 0 0 0 0 38 2 1 0 0 0 0 39 3 1 0 0 0 0 40 4 1 0 0 0 0 41 5 1 0 0 0 0 42 6 1 0 0 0 0 13 43 1 6 0 0 0 14 44 1 1 0 0 0 15 45 1 6 0 0 0 16 46 1 6 0 0 0 17 47 1 1 0 0 0 18 48 1 1 0 0 0 19 49 1 1 0 0 0 20 50 1 6 0 0 0 21 51 1 6 0 0 0 22 52 1 6 0 0 0 23 53 1 6 0 0 0 24 54 1 1 0 0 0 25 55 1 1 0 0 0 31 56 1 6 0 0 0 57 10 1 0 0 0 0 57 31 1 0 0 0 0 58 11 1 0 0 0 0 58 32 1 0 0 0 0 59 12 1 0 0 0 0 59 33 1 0 0 0 0 60 7 1 0 0 0 0 60 34 1 0 0 0 0 61 8 1 0 0 0 0 61 35 1 0 0 0 0 62 9 1 0 0 0 0 62 36 1 0 0 0 0 26 63 1 1 0 0 0 33 63 1 6 0 0 0 27 64 1 1 0 0 0 32 64 1 6 0 0 0 28 65 1 6 0 0 0 35 65 1 1 0 0 0 29 66 1 6 0 0 0 34 66 1 6 0 0 0 30 67 1 6 0 0 0 36 67 1 1 0 0 0 7 68 1 6 0 0 0 8 69 1 1 0 0 0 9 70 1 1 0 0 0 10 71 1 6 0 0 0 11 72 1 6 0 0 0 12 73 1 6 0 0 0 13 74 1 1 0 0 0 14 75 1 6 0 0 0 15 76 1 1 0 0 0 16 77 1 1 0 0 0 17 78 1 6 0 0 0 18 79 1 6 0 0 0 19 80 1 6 0 0 0 20 81 1 1 0 0 0 21 82 1 1 0 0 0 22 83 1 1 0 0 0 23 84 1 1 0 0 0 24 85 1 6 0 0 0 25 86 1 6 0 0 0 26 87 1 6 0 0 0 27 88 1 6 0 0 0 28 89 1 1 0 0 0 29 90 1 1 0 0 0 30 91 1 1 0 0 0 31 92 1 1 0 0 0 32 93 1 1 0 0 0 33 94 1 1 0 0 0 34 95 1 1 0 0 0 35 96 1 6 0 0 0 36 97 1 6 0 0 0 M END > DB03198 > drugbank > [H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(S[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(S[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(S[C@@]6([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([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/C36H62O28S3/c37-1-7-13(43)14(44)23(53)34(60-7)66-29-11(5-41)58-32(21(51)18(29)48)64-27-9(3-39)62-36(25(55)16(27)46)67-30-12(6-42)59-33(22(52)19(30)49)63-26-8(2-38)61-35(24(54)15(26)45)65-28-10(4-40)57-31(56)20(50)17(28)47/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-/m1/s1 > UMAYFXWVUSVOCQ-QXVNYKTNSA-N > C36H62O28S3 > 1039.056 > 1038.25897347 > 28 > 129 > -8.84158033405683e-05 > 97.32244694745793 > 0 > 20 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6S)-6-{[(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]sulfanyl}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfanyl}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol > -2.85 > -10.853324989333334 > -0.63 > 1 > 0 > 6 > 0 > 11.930257354152666 > 11.217179873348424 > -3.663264524675349 > 478.4400000000002 > 217.0423000000002 > 16 > 0 > 2.43e+02 g/l > biotin > 0 > DB03198 > EXPT03068 > experimental > Thio-Maltohexaose $$$$