HMDB0062476 RDKit 3D α-D-GlcNAc3S-(1→4)-β-D-GlcA(1→3)-β-D-Gal(1→3)-β-D-Gal(1→4)-D-Xyl 113117 0 0 0 0 0 0 0 0999 V2000 -7.8840 -0.0986 -4.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1516 -0.7942 -3.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3206 -1.6807 -3.7363 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3851 -0.4641 -2.1063 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7033 -1.1055 -0.9729 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1170 -0.0817 -0.0489 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3177 0.7844 -0.8028 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0542 0.9639 -0.3310 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6435 2.3580 0.0091 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6864 3.0525 0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 3.3948 1.9731 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9402 3.3981 0.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4993 2.2439 0.8106 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 1.7393 0.0468 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2575 1.9323 0.7392 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6664 2.7379 0.0671 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7633 4.0222 0.7935 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2852 4.1511 1.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0551 4.1494 1.5327 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8444 4.9530 2.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0332 5.1134 3.5155 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5361 2.9168 1.8698 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0036 2.1974 0.7782 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5153 0.9860 1.2037 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8523 0.8542 0.9305 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6853 0.6442 2.1532 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2332 1.4658 3.1714 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6647 -0.8132 2.5423 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2415 -1.1744 2.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2564 -2.4899 3.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0691 -1.6823 1.5774 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3536 -1.0796 0.3844 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5967 -2.0059 -0.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8492 -1.8350 -1.2458 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7338 -1.5142 -2.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2335 -2.4652 -3.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6005 -2.6185 -3.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0547 -1.3572 -2.8506 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6006 -3.5025 -2.0115 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1576 -4.7881 -2.3849 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7820 -2.9655 -0.9020 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6762 -2.6271 0.1409 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 -0.2654 -0.0485 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3938 0.3433 -1.2993 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9253 2.0214 -0.2621 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4319 2.3148 -1.5225 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7373 0.2983 -0.2634 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6772 -0.3692 -0.8369 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9627 0.3027 -1.1980 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3727 -0.9803 -1.4683 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1836 0.6297 0.5192 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0832 -0.1322 1.2068 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3931 -0.7624 2.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3960 -1.5155 3.0743 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7232 -1.2465 0.4374 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.6367 -0.6856 -0.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7087 -2.0197 -0.3239 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1153 -3.0339 0.4031 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4420 -4.4969 -0.3436 S 0 0 0 0 0 6 0 0 0 0 0 0 -7.3941 -5.6268 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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 55 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 59 61 2 0 59 62 1 0 57 5 1 0 49 8 1 0 45 16 1 0 43 25 1 0 41 34 1 0 1 63 1 0 1 64 1 0 1 65 1 0 4 66 1 0 5 67 1 6 6 68 1 1 8 69 1 1 9 70 1 6 12 71 1 0 14 72 1 6 16 73 1 6 17 74 1 6 18 75 1 0 19 76 1 6 20 77 1 0 20 78 1 0 21 79 1 0 23 80 1 6 25 81 1 6 26 82 1 6 27 83 1 0 28 84 1 1 29 85 1 0 29 86 1 0 30 87 1 0 32 88 1 1 34 89 1 1 35 90 1 0 35 91 1 0 37 92 1 0 38 93 1 0 39 94 1 1 40 95 1 0 41 96 1 1 42 97 1 0 43 98 1 6 44 99 1 0 45100 1 6 46101 1 0 47102 1 1 48103 1 0 49104 1 6 50105 1 0 52106 1 1 53107 1 0 53108 1 0 54109 1 0 55110 1 1 56111 1 0 57112 1 6 62113 1 0 M END