HMDB0062475 RDKit 3D β-L-IdoA2S-(1→4)-α-D-GlcNAc3S-(1→4)-β-D-GlcA(1→3)-β-D-Gal(1→3)-β-D-Gal(1→4)-D... 137142 0 0 0 0 0 0 0 0999 V2000 -2.1072 3.2514 -0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0415 2.3226 -1.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9005 2.1614 -2.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0273 1.6818 -0.9816 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0435 0.7616 -1.4803 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4871 -0.6102 -1.3401 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6033 -0.8340 -0.3177 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -1.2217 -0.6611 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9844 -2.5635 -0.0594 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7304 -3.6187 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9489 -3.8347 -0.7269 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 -4.4631 -1.6331 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 -2.8432 -0.2777 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 -1.9984 0.3932 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3201 -1.7401 -0.4374 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4845 -2.2285 0.1052 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0688 -3.2792 -0.8015 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2827 -4.4271 -0.8094 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3321 -2.7598 -2.1862 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2740 -3.1575 -3.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0581 -2.5921 -2.8788 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 -1.3858 -2.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3559 -1.1486 -0.9952 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0703 0.0392 -1.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4368 -0.2319 -1.3802 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8351 0.2147 -2.7450 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8680 1.0106 -3.3681 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1920 0.8433 -2.8137 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1619 2.3532 -2.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4304 2.8034 -3.2315 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 0.4181 -1.8819 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7185 0.4526 -0.5723 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4105 1.4807 0.0897 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2941 0.9660 1.0338 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9650 1.5716 2.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9825 2.4375 2.7473 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1290 1.7138 3.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1063 2.6933 3.4114 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5660 0.9104 1.9359 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9049 1.1269 1.5973 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7511 1.2813 0.6921 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2126 0.5067 -0.3547 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2559 0.4733 -0.3368 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0204 -0.1754 0.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5012 -1.0980 0.2337 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1916 -1.1441 1.4161 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4404 -0.7441 0.8643 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0634 -0.9225 2.0698 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3446 -0.1587 -0.1920 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5769 0.3240 -1.2342 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6032 -1.4668 -1.3345 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2032 -1.4134 -0.0720 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2266 -2.5740 -0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1243 -2.2722 -1.0963 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9076 -0.1091 0.0530 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1345 0.2878 1.3719 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5159 0.3184 1.6139 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7994 -0.7445 2.4758 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0411 -0.5631 3.0959 C 0 0 1 0 0 0 0 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23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 32 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 14 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 6 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 60 62 1 0 59 63 1 0 63 64 1 0 63 65 1 0 65 66 1 0 65 67 1 0 67 68 1 0 68 69 1 0 69 70 2 0 69 71 2 0 69 72 1 0 55 73 1 0 73 74 1 0 74 75 1 0 75 76 2 0 75 77 2 0 75 78 1 0 73 5 1 0 49 8 1 0 67 57 1 0 45 16 1 0 43 25 1 0 41 34 1 0 1 79 1 0 1 80 1 0 1 81 1 0 4 82 1 0 5 83 1 6 6 84 1 6 8 85 1 6 9 86 1 1 12 87 1 0 14 88 1 1 16 89 1 1 17 90 1 1 18 91 1 0 19 92 1 6 20 93 1 0 20 94 1 0 21 95 1 0 23 96 1 1 25 97 1 6 26 98 1 6 27 99 1 0 28100 1 6 29101 1 0 29102 1 0 30103 1 0 32104 1 1 34105 1 1 35106 1 0 35107 1 0 37108 1 0 38109 1 0 39110 1 1 40111 1 0 41112 1 6 42113 1 0 43114 1 1 44115 1 0 45116 1 1 46117 1 0 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