24759 -OEChem-06191311522D 97100 0 1 0 0 0 0 0999 V2000 9.4651 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7953 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0632 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6613 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7953 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6613 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5273 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1309 0.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4492 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0507 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9073 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1473 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28 1 1 6 0 0 0 30 1 1 6 0 0 0 2 28 1 0 0 0 0 2 31 1 0 0 0 0 3 26 1 0 0 0 0 39 3 1 6 0 0 0 4 34 1 0 0 0 0 35 4 1 1 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 40 1 0 0 0 0 6 42 1 0 0 0 0 29 7 1 1 0 0 0 7 77 1 0 0 0 0 8 39 1 0 0 0 0 8 46 1 0 0 0 0 32 9 1 1 0 0 0 9 79 1 0 0 0 0 33 10 1 6 0 0 0 10 82 1 0 0 0 0 38 11 1 6 0 0 0 11 83 1 0 0 0 0 41 12 1 1 0 0 0 12 84 1 0 0 0 0 42 13 1 1 0 0 0 13 85 1 0 0 0 0 14 43 1 0 0 0 0 14 86 1 0 0 0 0 44 15 1 6 0 0 0 15 87 1 0 0 0 0 45 16 1 1 0 0 0 16 88 1 0 0 0 0 17 47 1 0 0 0 0 17 92 1 0 0 0 0 18 48 1 0 0 0 0 18 93 1 0 0 0 0 19 47 2 0 0 0 0 20 49 2 0 0 0 0 21 50 1 0 0 0 0 21 97 1 0 0 0 0 22 50 2 0 0 0 0 23 51 2 0 0 0 0 27 24 1 1 0 0 0 24 49 1 0 0 0 0 24 69 1 0 0 0 0 37 25 1 6 0 0 0 25 51 1 0 0 0 0 25 78 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 29 31 1 0 0 0 0 29 57 1 0 0 0 0 30 32 1 0 0 0 0 30 36 1 0 0 0 0 30 58 1 0 0 0 0 31 43 1 6 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 36 47 1 1 0 0 0 36 64 1 0 0 0 0 37 42 1 0 0 0 0 37 65 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 67 1 0 0 0 0 40 48 1 1 0 0 0 40 68 1 0 0 0 0 41 44 1 0 0 0 0 41 70 1 0 0 0 0 42 71 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 44 45 1 0 0 0 0 44 74 1 0 0 0 0 45 46 1 0 0 0 0 45 75 1 0 0 0 0 46 50 1 6 0 0 0 46 76 1 0 0 0 0 48 80 1 0 0 0 0 48 81 1 0 0 0 0 49 52 1 0 0 0 0 51 53 1 0 0 0 0 52 89 1 0 0 0 0 52 90 1 0 0 0 0 52 91 1 0 0 0 0 53 94 1 0 0 0 0 53 95 1 0 0 0 0 53 96 1 0 0 0 0 M END > 24759 > 1 > 1300 > 23 > 14 > 12 > AAADcfB7PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEgAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAGQGAIAAAAAAAAAAIFIAAATEBYAgAQnQAAHNgCXAAH6fA9AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S,3S,4S,5R,6R)-6-[(2S,3R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-2-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[[(2S,3R,5S,6R)-3-acetamido-2-[[(2S,3S,4R,5R,6R)-6-[[(2R,3R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-2-carboxy-4,5-dihydroxy-3-oxanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid > (2S,3S,4S,5R,6R)-6-[(2S,3R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[(2S,3R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3S,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxy-2-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[(2S,3R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,5S,6R)-3-acetamido-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-2-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18?,19?,20+,21+,22+,25-,26+,27-,28-/m1/s1 > KIUKXJAPPMFGSW-MNSSHETKSA-N > -7.4 > 776.233486 > C28H44N2O23 > 776.64856 > CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)NC(=O)C)O)O > CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H](C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O[C@H]3[C@@H](C([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)NC(=O)C)O)O)O)CO)O > 400 > 776.233486 > 0 > 53 > 18 > 2 > 0 > 0 > 0 > 1 > 4 > 1 5 255 > 28 1 6 30 1 6 33 10 6 38 11 6 41 12 5 42 13 5 44 15 6 45 16 5 27 24 5 37 25 6 26 54 3 39 3 6 31 43 6 34 62 3 36 47 5 35 4 5 40 48 5 46 50 6 29 7 5 32 9 5 $$$$