HMDB0006631 RDKit 3D Sialyllacto-N-tetraose c 130133 0 0 0 0 0 0 0 0999 V2000 1.9663 -0.7171 -3.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 -1.6956 -2.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 -2.7526 -2.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 -1.2729 -0.9784 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6352 -1.7522 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4841 -0.7026 0.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 -0.2517 0.1512 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4534 0.4598 0.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4547 1.8565 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3952 2.6971 0.8247 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 1.6914 -1.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4196 2.9376 -1.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6813 2.8237 -3.1329 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4886 0.5488 -1.4683 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4926 0.4378 -0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4413 -0.4691 -0.8216 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6602 -0.0258 -1.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6774 -0.1488 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7518 -1.3549 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5132 0.9777 0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5629 1.0278 1.8213 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0837 -0.7155 -2.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3177 -0.2693 -2.9647 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0306 -2.2372 -2.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0046 -2.7610 -1.5546 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9408 -2.8911 -3.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5957 -3.8488 -4.0065 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8505 -0.0585 0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8115 -1.4555 0.8471 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6001 0.5197 0.9712 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7987 0.3502 2.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 1.5754 2.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5169 1.3786 3.7725 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7259 -0.7387 1.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3144 -0.2539 1.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3009 0.5072 1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1902 0.5779 0.0174 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 1.6284 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4815 1.3634 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 0.8059 0.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5833 0.5909 0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0726 0.2294 1.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2349 0.4603 2.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2517 -0.4014 2.6705 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2810 1.8560 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6119 1.6581 -0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5339 2.4715 0.1179 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1609 0.2750 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4260 0.2057 -0.1142 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6063 0.1337 0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8615 0.7369 -0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8220 -0.4010 1.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1902 -0.7953 -0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2954 -1.9172 -1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0037 -1.2668 -2.7725 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7100 -2.4023 -1.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7682 -3.2262 -2.8288 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1150 -3.3644 -0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2189 -4.4348 -0.5818 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8613 -0.3225 -0.5913 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0604 2.3246 1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3479 2.9118 1.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9262 1.3750 2.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 1.3125 3.3767 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3898 0.0032 2.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -0.6288 3.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3277 -1.9790 1.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -2.5531 0.1712 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9052 -0.2038 -3.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3903 0.0993 -2.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4219 -1.2060 -4.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8091 -0.2852 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1389 -2.7022 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 -0.6747 1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1994 0.5968 1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4791 2.3330 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0076 3.2434 1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7665 1.6332 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3416 3.1704 -1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 3.8491 -1.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8355 2.7246 -3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8988 1.4502 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6324 1.1153 -1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6940 0.0329 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9551 -1.3716 1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5170 1.9743 0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 0.9686 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2573 1.6161 1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2893 -0.4726 -3.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0900 -0.5940 -2.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0370 -2.4219 -1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8624 -3.6662 -1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2248 -2.5013 -4.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3850 0.3085 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6253 -1.7136 1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4275 -0.1807 2.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 2.0820 3.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9358 2.3856 2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9604 0.9195 4.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4844 -0.8783 2.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2205 1.5245 1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6379 2.4000 -0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3776 0.6485 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7939 2.3087 -0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1239 -1.3826 2.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3312 2.5731 0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6431 2.3210 -0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6370 2.1625 -1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7564 3.3011 -0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3567 0.1307 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8981 -0.6848 0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7171 0.3729 0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7745 1.8061 -0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8830 0.2785 -1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2935 -1.2737 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6320 -2.7164 -1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0978 -1.4703 -3.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4802 -1.6582 -1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6624 -3.6649 -2.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1987 -2.9201 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1174 -3.7638 -0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7300 -5.2875 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3799 3.1923 1.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3859 3.6702 0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0795 1.8540 3.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9258 1.9937 4.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0977 -0.6026 1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7668 -1.6358 3.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3757 -2.7697 1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9368 -2.9820 -0.5572 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 35 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 42 43 2 0 42 44 1 0 41 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 2 0 48 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 53 60 1 0 38 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 63 65 1 0 65 66 1 0 34 67 1 0 67 68 1 0 67 5 1 0 28 8 1 0 65 36 1 0 60 41 1 0 1 69 1 0 1 70 1 0 1 71 1 0 4 72 1 0 5 73 1 0 6 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 15 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 22 89 1 0 23 90 1 0 24 91 1 0 25 92 1 0 26 93 1 0 28 94 1 0 29 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 36101 1 0 38102 1 0 39103 1 0 39104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 47109 1 0 48110 1 0 49111 1 0 51112 1 0 51113 1 0 51114 1 0 53115 1 0 54116 1 0 55117 1 0 56118 1 0 57119 1 0 58120 1 0 58121 1 0 59122 1 0 61123 1 0 62124 1 0 63125 1 0 64126 1 0 65127 1 0 66128 1 0 67129 1 0 68130 1 0 M END