HMDB0062482 RDKit 3D IV2Fuc-nLc4Cer 173177 0 0 0 0 0 0 0 0999 V2000 17.9076 0.4298 3.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0790 -0.2470 2.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1048 0.7716 1.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2067 0.1952 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0297 -0.2593 -0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3978 -0.8601 -1.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4971 -0.1144 -2.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2521 0.4251 -1.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4257 -0.7119 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1473 -0.1676 -0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2843 -1.2504 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9007 -2.2705 -1.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9881 -3.3422 -0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6077 -3.1325 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 -2.1821 -0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 -0.7826 -0.8113 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8632 -0.5586 -1.7977 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5925 0.1282 0.3638 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3275 -0.2334 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1422 -0.0768 0.4127 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 1.1849 0.1106 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6425 1.5704 0.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4386 1.0669 0.5165 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3908 -0.4494 0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6057 -0.7941 1.9248 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0181 1.5813 -0.8431 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0888 2.4002 -0.6856 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2297 1.9764 -1.3589 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4795 2.8513 -2.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 2.4324 -3.0773 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8606 3.3504 -4.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0026 4.6496 -3.7842 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8342 2.5008 -2.1862 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9494 3.8037 -1.7045 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6367 1.5994 -0.9663 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7107 1.8609 -0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5480 0.7571 0.0569 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8190 1.0560 -0.5261 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4042 -0.2273 -0.6387 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5157 -0.3059 -1.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8834 -1.6351 -1.7336 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 -0.6718 0.7193 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7106 -1.6687 0.7497 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7514 -1.4413 1.6495 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5502 -2.4467 2.6347 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0793 -1.9273 3.8154 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.7955 -2.9221 4.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2938 -2.4774 6.1462 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5475 -1.6984 3.7049 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.2162 -2.8602 4.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0571 -1.2254 2.4114 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.2854 -1.8134 2.0964 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1382 -1.4989 1.1890 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.5239 -0.4951 0.2834 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2843 -1.0639 -0.7369 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.8074 -0.7224 -1.9884 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3677 -1.4556 -2.9960 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.0949 -2.9359 -2.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8762 -1.1749 -3.0142 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.5912 -2.2892 -2.6233 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1070 -0.0268 -2.0163 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.4309 0.3403 -2.0606 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7076 -0.5017 -0.6310 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.6756 0.5949 0.1938 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4776 -1.0078 1.4838 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7224 -1.3198 2.7879 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7699 0.3611 1.4620 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5960 0.3471 2.2802 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4083 1.2873 3.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3217 2.4257 3.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 1.2099 3.8955 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 1.9221 -0.3483 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9276 0.9737 0.6049 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 2.3753 -1.3598 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9797 2.9501 -2.5892 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 1.4426 -1.3371 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4143 2.0904 -2.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6990 1.4905 -0.0646 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 2.3852 0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4623 3.7596 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2288 2.0644 1.5502 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2464 1.4112 3.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2050 0.6016 4.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7196 -0.2556 3.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8331 -0.5719 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5318 -1.1116 2.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4674 1.1106 2.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6040 1.6533 1.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7197 -0.7163 1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4396 0.9428 0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7291 0.5744 -0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7318 -1.0624 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2555 -1.3191 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8834 -1.8234 -1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2265 -0.8235 -3.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0705 0.6871 -3.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3292 1.2355 -1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5816 0.8271 -2.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2054 -1.3832 -2.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0043 -1.1918 -0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6071 0.3863 -1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4108 0.5768 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4236 -0.7987 0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8975 -1.7737 0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9062 -2.7523 -1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5192 -1.8071 -2.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4910 -3.8945 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0082 -4.1730 -1.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1335 -4.1279 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6983 -2.5004 -0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8238 -0.5263 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.4882 -2.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4037 -0.0099 1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4595 -1.2477 1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 0.4242 1.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5176 1.9151 0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6959 1.3994 1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3317 -0.7457 0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -0.9565 -0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1389 -0.0916 2.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7765 0.7319 -1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0285 0.9993 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 1.3959 -3.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 3.3434 -4.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 3.0994 -4.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1953 5.2020 -4.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7159 2.1910 -2.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7434 4.2818 -2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6644 0.5742 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1774 -0.0944 -0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5770 -0.8871 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2639 0.1527 -2.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3827 0.2945 -1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6167 -1.9589 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1363 0.2337 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6061 -0.4758 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5001 -1.0034 4.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2554 -3.9016 4.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7050 -3.0962 5.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3582 -3.2294 6.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7978 -0.9273 4.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0395 -3.6263 3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2298 -0.1123 2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9851 -1.2625 2.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4491 -2.4927 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3689 -2.1438 -0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9382 -1.0703 -3.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6137 -3.2947 -2.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0427 -3.5051 -3.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4181 -3.2440 -3.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1788 -0.7730 -4.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3901 -2.0367 -2.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4361 0.7904 -2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8263 0.1234 -2.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3818 -1.3067 -0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7688 0.9714 0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8755 -1.6872 0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1072 -2.0448 3.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5271 1.0495 1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2784 2.1269 3.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8621 3.1935 4.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5818 2.8231 2.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9649 1.8844 4.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3627 2.9073 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4348 0.1380 0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4228 3.1822 -0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8176 3.9441 -2.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1446 0.4826 -1.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 2.3134 -2.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4208 4.2366 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6523 4.3934 0.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2959 3.8075 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8209 1.7365 2.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 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 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 3 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 30 33 1 0 33 34 1 0 33 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 39 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 46 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 42 65 1 0 65 66 1 0 65 67 1 0 67 68 1 0 68 69 2 3 69 70 1 0 69 71 1 0 35 72 1 0 72 73 1 0 26 74 1 0 74 75 1 0 74 76 1 0 76 77 1 0 18 78 1 0 78 79 2 3 79 80 1 0 79 81 1 0 76 21 1 0 72 28 1 0 67 37 1 0 53 44 1 0 63 55 1 0 1 82 1 0 1 83 1 0 1 84 1 0 2 85 1 0 2 86 1 0 3 87 1 0 3 88 1 0 4 89 1 0 4 90 1 0 5 91 1 0 5 92 1 0 6 93 1 0 6 94 1 0 7 95 1 0 7 96 1 0 8 97 1 0 8 98 1 0 9 99 1 0 9100 1 0 10101 1 0 10102 1 0 11103 1 0 11104 1 0 12105 1 0 12106 1 0 13107 1 0 13108 1 0 14109 1 0 15110 1 0 16111 1 6 17112 1 0 18113 1 1 19114 1 0 19115 1 0 21116 1 1 23117 1 1 24118 1 0 24119 1 0 25120 1 0 26121 1 6 28122 1 6 30123 1 6 31124 1 0 31125 1 0 32126 1 0 33127 1 6 34128 1 0 35129 1 6 37130 1 6 39131 1 6 40132 1 0 40133 1 0 41134 1 0 42135 1 1 44136 1 1 46137 1 1 47138 1 0 47139 1 0 48140 1 0 49141 1 1 50142 1 0 51143 1 1 52144 1 0 53145 1 6 55146 1 1 57147 1 6 58148 1 0 58149 1 0 58150 1 0 59151 1 6 60152 1 0 61153 1 6 62154 1 0 63155 1 1 64156 1 0 65157 1 6 66158 1 0 67159 1 1 70160 1 0 70161 1 0 70162 1 0 71163 1 0 72164 1 1 73165 1 0 74166 1 1 75167 1 0 76168 1 6 77169 1 0 80170 1 0 80171 1 0 80172 1 0 81173 1 0 M END