HMDB0002071 RDKit 3D O-2-(acetylamino)-2-deoxy-a-D-Gal-(1->3)-O-[6-deoxy-a-L-Gal-(1->2)]-O-b-D-Gal... 140144 0 0 0 0 0 0 0 0999 V2000 2.2331 3.0259 1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8139 2.5812 -0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8674 3.4074 -1.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3557 1.2689 -0.5751 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9392 0.8229 -1.8818 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7259 -0.3896 -2.3202 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0595 -0.0103 -2.4168 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9466 -0.7354 -1.6505 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8079 -1.6569 -2.4791 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1232 -2.0051 -3.6744 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1083 -0.9948 -2.7931 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0126 0.0264 -3.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3189 0.3913 -4.3281 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7779 -0.3987 -1.7679 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -0.6423 -0.5513 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8686 -0.1682 0.5032 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3705 -1.3085 1.2059 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0071 -1.2205 2.6237 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5691 -1.1379 2.6531 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5596 -0.0809 3.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0651 -0.2129 4.7234 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8669 -1.3824 0.8697 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8822 -1.5241 -0.5803 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5773 -2.6095 1.3587 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8225 -2.7026 0.6281 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9264 -2.5708 2.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1159 -2.5396 3.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7761 0.0320 -0.7199 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1624 0.3832 0.4712 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2205 -0.7983 -3.5263 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0794 -0.8683 -3.7921 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3573 -0.8166 -5.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 -1.8610 -5.9739 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0074 0.1091 -3.1292 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2811 -0.5115 -3.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5443 0.4220 -1.7569 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2245 1.4005 -1.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7656 0.9511 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2834 1.7003 1.1985 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 1.5731 2.3337 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0598 1.5363 3.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 0.4423 3.3254 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7544 0.2380 2.3656 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8972 -0.8308 2.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8097 0.2596 1.2856 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0765 -1.0370 0.8096 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4034 -1.4022 0.9812 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9513 -1.8263 -0.2098 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2674 -2.1933 -0.1269 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1133 -1.1806 -0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6814 -1.1755 -2.2071 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8042 -2.3499 1.2692 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3199 -1.1328 1.7728 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8362 -2.9664 2.2305 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1511 -2.5393 3.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4062 -2.5957 1.9235 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7852 -3.7474 1.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6782 -4.3916 1.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 -5.5869 1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1981 -3.9426 2.9693 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 1.0287 0.1182 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6812 2.3630 0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3424 2.8006 -0.8960 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6043 3.8590 -1.4187 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3291 4.7887 -0.4378 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2735 5.7826 -0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6099 5.4939 -0.0524 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2477 6.1022 -1.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5627 4.4280 0.4745 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8332 5.0186 0.6735 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6944 3.3041 -0.5132 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5174 2.3142 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0356 3.7850 0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4045 3.5480 1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 2.1848 1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3282 0.6027 0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0626 1.6210 -2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5975 -1.2392 -1.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2878 -1.4510 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -2.5881 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8502 -1.1537 -4.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7628 -1.8336 -3.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5591 -0.4162 -4.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 0.9081 -3.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7503 1.0177 -3.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0313 -1.7328 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9637 -2.2412 0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1524 -2.1769 3.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3390 -0.2278 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6450 -0.0897 3.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1344 0.8683 3.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4580 0.4505 5.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4138 -0.4979 1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8678 -1.5191 -0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9698 -3.4912 1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0066 -3.6840 0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2355 -2.5688 3.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0131 1.0412 -1.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5449 1.2545 0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4334 -1.9168 -3.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0519 0.1737 -5.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4521 -0.9007 -5.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2794 -2.6933 -5.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1703 1.0225 -3.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2369 -1.2370 -2.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5852 -0.5219 -1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4874 -0.1144 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 2.4122 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6012 1.4989 4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4903 2.4973 3.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0758 -0.0769 4.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3303 0.1692 3.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8483 -1.3344 3.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7631 0.7018 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9605 -0.5963 1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3801 -3.1692 -0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8953 -0.1876 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1929 -1.4362 -0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1509 -0.4513 -2.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6892 -3.0373 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1466 -1.0737 2.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9771 -4.0821 2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3774 -2.6330 4.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8745 -2.3261 2.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1843 -4.1270 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8485 -6.3347 1.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2334 -5.9927 1.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5514 -5.3070 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6089 0.6204 -0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3754 1.9706 -1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 4.3309 0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2148 6.6332 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 6.1819 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3025 5.2441 -0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3548 6.1943 0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9534 5.8006 -1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1827 4.1048 1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4642 4.6888 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1822 3.7224 -1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1448 1.4016 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 17 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 2 0 15 28 1 0 28 29 1 0 6 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 31 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 40 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 49 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 2 0 45 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 65 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 69 71 1 0 71 72 1 0 36 5 1 0 61 38 1 0 71 63 1 0 28 8 1 0 56 47 1 0 1 73 1 0 1 74 1 0 1 75 1 0 4 76 1 0 5 77 1 6 6 78 1 1 8 79 1 1 9 80 1 1 10 81 1 0 11 82 1 6 12 83 1 0 12 84 1 0 13 85 1 0 15 86 1 1 17 87 1 6 18 88 1 1 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 22 93 1 6 23 94 1 0 24 95 1 1 25 96 1 0 26 97 1 0 28 98 1 6 29 99 1 0 31100 1 1 32101 1 0 32102 1 0 33103 1 0 34104 1 6 35105 1 0 36106 1 1 38107 1 0 40108 1 1 41109 1 0 41110 1 0 42111 1 0 43112 1 1 44113 1 0 45114 1 1 47115 1 1 49116 1 6 50117 1 0 50118 1 0 51119 1 0 52120 1 6 53121 1 0 54122 1 1 55123 1 0 56124 1 1 57125 1 0 59126 1 0 59127 1 0 59128 1 0 61129 1 6 63130 1 6 65131 1 1 66132 1 0 66133 1 0 66134 1 0 67135 1 1 68136 1 0 69137 1 1 70138 1 0 71139 1 6 72140 1 0 M END