HMDB0062495 RDKit 3D β-L-IdoA-(1→4)-α-D-GlcNAc3S-(1→4)-β-D-GlcA(1→3)-β-D-Gal(1→3)-β-D-Gal(1→4)-D-Xyl 133138 0 0 0 0 0 0 0 0999 V2000 -4.6783 1.7937 4.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4248 1.6921 2.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3365 2.5093 2.7419 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1558 0.6789 2.0145 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8725 0.5758 0.7910 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0004 1.1630 -0.3241 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8461 0.4608 -0.4125 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6745 1.0585 -0.0721 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7625 1.4919 -1.2072 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3445 2.6903 -1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7274 3.8043 -1.6768 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4755 2.7360 -2.6219 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5613 1.9509 -0.6176 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 0.8340 -0.2906 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1680 1.2959 0.6111 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3974 1.4865 0.0040 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9409 2.8672 0.2939 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9432 3.8204 0.0858 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4514 3.0362 1.6994 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3962 3.5960 2.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3531 2.6912 2.8234 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0102 1.8627 2.2204 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5173 1.0985 1.1162 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4502 0.2267 1.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7117 0.5947 1.2017 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5112 0.8692 2.4576 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3496 -0.2450 3.2883 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9589 0.9697 2.0852 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7806 -0.1858 2.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5057 -0.3735 3.9632 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2205 1.1712 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7891 0.1494 -0.0872 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6893 -0.8518 -0.2438 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1520 -1.0322 -1.5425 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7108 -2.3362 -2.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5293 -2.5418 -3.2809 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7535 -2.9863 -2.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5078 -4.1234 -2.0234 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4638 -1.9282 -1.9893 C 0 0 2 0 0 0 0 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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 55 69 1 0 69 70 1 0 70 71 1 0 71 72 2 0 71 73 2 0 71 74 1 0 69 5 1 0 49 8 1 0 67 57 1 0 45 16 1 0 43 25 1 0 41 34 1 0 1 75 1 0 1 76 1 0 1 77 1 0 4 78 1 0 5 79 1 1 6 80 1 1 8 81 1 1 9 82 1 6 12 83 1 0 14 84 1 6 16 85 1 6 17 86 1 6 18 87 1 0 19 88 1 6 20 89 1 0 20 90 1 0 21 91 1 0 23 92 1 6 25 93 1 6 26 94 1 1 27 95 1 0 28 96 1 1 29 97 1 0 29 98 1 0 30 99 1 0 32100 1 6 34101 1 6 35102 1 0 35103 1 0 37104 1 0 38105 1 0 39106 1 6 40107 1 0 41108 1 1 42109 1 0 43110 1 1 44111 1 0 45112 1 1 46113 1 0 47114 1 1 48115 1 0 49116 1 1 50117 1 0 52118 1 6 53119 1 0 53120 1 0 54121 1 0 55122 1 1 57123 1 1 59124 1 6 62125 1 0 63126 1 1 64127 1 0 65128 1 6 66129 1 0 67130 1 1 68131 1 0 69132 1 6 74133 1 0 M END