11966249 -OEChem-04252417192D 87 92 0 1 0 0 0 0 0999 V2000 8.5690 -0.3972 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 0.4219 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3875 -1.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2391 -5.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1671 -1.8972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2209 -1.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8991 1.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5025 5.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1671 1.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6689 2.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9396 -4.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8941 -0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4350 -0.8972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8991 -0.8972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4193 5.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3730 3.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9354 -2.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 -0.5178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9658 -2.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4350 2.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2101 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7030 0.1028 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0690 -1.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0690 0.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 1.3616 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7485 -3.7706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5630 -2.1521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8422 -3.3480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1965 -3.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3010 -2.3972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8991 2.1028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1671 -0.8972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4596 4.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3328 -4.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7525 3.3221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0331 -0.3972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0331 0.6028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3010 -0.3972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9499 4.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3010 0.6028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7954 4.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2361 -1.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3882 3.2696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5934 -1.8048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6085 -1.6312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2665 -0.6915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9093 0.0746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4350 1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5673 1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5189 -4.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9687 -2.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 -2.9888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7753 -3.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2686 -1.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2802 2.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7040 -1.2072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0606 4.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7566 -4.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0872 -5.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1514 2.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0331 -1.0172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5700 0.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3010 -1.0172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5698 4.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3010 1.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3699 4.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3323 4.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4482 -1.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 3.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1948 -2.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8206 -2.2138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -1.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3078 0.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8107 -4.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8244 1.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2230 0.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4360 -0.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0390 5.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1688 1.4892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0304 0.7043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5851 2.5133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5368 -3.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3552 -2.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8981 2.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 2.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 1 23 2 0 0 0 0 1 24 2 0 0 0 0 2 18 1 0 0 0 0 2 25 1 0 0 0 0 2 26 2 0 0 0 0 2 27 2 0 0 0 0 3 30 1 0 0 0 0 3 32 1 0 0 0 0 4 28 1 0 0 0 0 4 36 1 0 0 0 0 32 5 1 6 0 0 0 34 5 1 1 0 0 0 29 6 1 6 0 0 0 44 6 1 1 0 0 0 33 7 1 1 0 0 0 39 7 1 1 0 0 0 8 35 1 0 0 0 0 8 43 1 0 0 0 0 9 39 1 0 0 0 0 9 42 1 0 0 0 0 10 37 1 0 0 0 0 10 45 1 0 0 0 0 31 11 1 6 0 0 0 11 76 1 0 0 0 0 12 44 1 0 0 0 0 12 49 1 0 0 0 0 40 13 1 1 0 0 0 38 14 1 6 0 0 0 14 79 1 0 0 0 0 41 15 1 1 0 0 0 15 80 1 0 0 0 0 45 16 1 1 0 0 0 16 83 1 0 0 0 0 46 17 1 6 0 0 0 17 84 1 0 0 0 0 48 18 1 1 0 0 0 47 19 1 1 0 0 0 19 85 1 0 0 0 0 20 50 1 0 0 0 0 20 86 1 0 0 0 0 21 51 1 0 0 0 0 21 87 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 28 52 1 6 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 36 1 0 0 0 0 30 54 1 1 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 0 0 0 0 33 57 1 0 0 0 0 34 38 1 0 0 0 0 34 40 1 0 0 0 0 34 58 1 0 0 0 0 35 41 1 0 0 0 0 35 59 1 1 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 43 1 0 0 0 0 37 62 1 6 0 0 0 38 39 1 0 0 0 0 38 63 1 0 0 0 0 39 64 1 0 0 0 0 40 42 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 50 1 1 0 0 0 42 67 1 0 0 0 0 43 68 1 0 0 0 0 43 69 1 0 0 0 0 44 46 1 0 0 0 0 44 70 1 0 0 0 0 45 71 1 0 0 0 0 46 47 1 0 0 0 0 46 72 1 0 0 0 0 47 48 1 0 0 0 0 47 73 1 0 0 0 0 48 49 1 0 0 0 0 48 74 1 0 0 0 0 49 51 1 1 0 0 0 49 75 1 0 0 0 0 50 77 1 0 0 0 0 50 78 1 0 0 0 0 51 81 1 0 0 0 0 51 82 1 0 0 0 0 M CHG 2 22 -1 25 -1 M END > 11966249 > 1 > 1380 > 25 > 8 > 10 > AAADcfB4PgBgAAAAAAAAAAAAAAAAASJAAAAkSJEgBIkAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAADAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R,5R,6S)-6-[[(1R,3S,4R,5R,8S)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfonatooxy-tetrahydropyran-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] sulfate > [(2R,3S,4R,5R,6S)-6-[[(1R,3S,4R,5R,8S)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-[[(1R,3R,4R,5R,8S)-8-[[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfonatooxy-2-oxanyl]oxy]-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-hydroxy-2-(hydroxymethyl)-3-oxanyl] sulfate > [(2R,3S,4R,5R,6S)-6-[[(1R,3S,4R,5R,8S)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] sulfate > [(2R,3S,4R,5R,6S)-6-[[(1R,3S,4R,5R,8S)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] sulfate > [(2R,3S,4R,5R,6S)-6-[[(1R,3S,4R,5R,8S)-3,4-bis(oxidanyl)-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-2-(hydroxymethyl)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4-bis(oxidanyl)-5-sulfonatooxy-oxan-2-yl]oxy-4-oxidanyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-oxidanyl-oxan-3-yl] sulfate > [(2R,3S,4R,5R,6S)-6-[[(1R,3S,4R,5R,8S)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methylol-5-sulfato-tetrahydropyran-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-hydroxy-2-methylol-tetrahydropyran-3-yl] sulfate > InChI=1S/C24H38O25S2/c25-1-5-14(48-50(33,34)35)9(27)10(28)22(42-5)45-16-8-4-40-19(16)12(30)23(44-8)47-20-13(31)24(43-6(2-26)17(20)49-51(36,37)38)46-15-7-3-39-18(15)11(29)21(32)41-7/h5-32H,1-4H2,(H,33,34,35)(H,36,37,38)/p-2/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18-,19-,20-,21+,22+,23-,24+/m1/s1 > ZNOZWUKQPJXOIG-XSBHQQIPSA-L > -8.5 > 788.09870898 > C24H36O25S2-2 > 788.7 > C1C2C(C(O1)C(C(O2)O)O)OC3C(C(C(C(O3)CO)OS(=O)(=O)[O-])OC4C(C5C(C(O4)CO5)OC6C(C(C(C(O6)CO)OS(=O)(=O)[O-])O)O)O)O > C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)OS(=O)(=O)[O-])O[C@@H]4[C@@H]([C@@H]5[C@H]([C@H](O4)CO5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)OS(=O)(=O)[O-])O)O)O)O > 395 > 788.09870898 > -2 > 51 > 20 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 31 11 6 40 13 5 38 14 6 41 15 5 45 16 5 46 17 6 48 18 5 47 19 5 28 52 6 30 54 5 35 59 5 37 62 6 42 50 5 49 51 5 32 5 6 34 5 5 29 6 6 44 6 5 33 7 5 39 7 5 $$$$