HMDB0004841 RDKit 3D Galabiosylceramide (d18:1/25:0) 174175 0 0 0 0 0 0 0 0999 V2000 8.1069 5.3943 -2.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7525 5.8457 -1.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9414 6.4780 -3.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6098 6.8323 -2.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6327 7.4906 -3.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3828 7.7999 -2.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 6.6220 -1.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 7.1013 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3046 5.9118 -0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5336 6.2936 0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2788 5.0832 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4941 5.4607 1.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1903 4.1585 1.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3775 4.3823 2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5262 3.8524 3.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5204 2.9881 4.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 3.0179 5.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6898 1.5356 4.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0763 1.0244 4.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1909 -0.2142 3.5677 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9053 -0.3383 2.2237 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0574 -0.8686 1.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9317 -0.9197 0.2395 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1826 -1.5652 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3072 -2.8571 0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 -1.7386 -0.1865 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1163 -2.8002 -0.9927 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3720 -2.8699 -2.1760 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6324 -4.0546 -2.2135 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 -4.2614 -3.3579 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4071 -4.2554 -3.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -4.4771 -4.3298 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1941 -3.2553 -4.4369 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4924 -2.0582 -4.2675 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6568 -3.0233 -4.6425 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8628 -1.8612 -5.4084 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3369 -2.8500 -3.3258 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3755 -3.7707 -3.1408 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1201 -2.4174 1.0568 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0715 -3.3212 1.5078 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7926 -1.3485 2.0742 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5974 -0.7710 1.6457 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6972 0.6912 4.7113 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3829 0.6024 4.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0698 1.3458 3.2709 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2725 -0.2329 4.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0372 0.2301 4.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -0.6112 4.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0555 -1.9618 3.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2978 -2.8338 3.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0156 -4.1203 3.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3037 -4.8934 2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0644 -6.1219 2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3998 -6.7200 1.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2726 -7.8407 0.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 -7.2320 -0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0612 -6.0034 -0.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3568 -5.9472 -1.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6497 -4.4689 -1.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7245 -3.9898 -2.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0028 -2.5046 -2.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7216 -1.6932 -2.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0746 -0.2912 -1.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 0.6242 -1.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1691 0.0626 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 0.8508 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 2.2501 0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2735 3.0119 1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6745 4.3912 1.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 4.6956 -1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8894 6.1677 -2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1587 4.8042 -3.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1634 5.0020 -1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8041 6.6113 -1.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8234 5.8387 -3.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4019 7.4280 -3.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 5.8928 -2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8141 7.4644 -1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0789 8.4590 -3.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 6.9347 -4.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 8.4063 -3.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6471 8.4575 -1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4173 5.8996 -2.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 6.1269 -1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7212 7.8201 -0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1935 7.6671 -1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6481 5.3069 -1.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3882 5.2949 -0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1889 6.9132 -0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2294 6.9596 0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5384 4.4590 -0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6097 4.5244 1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1984 5.9457 0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2871 6.1428 2.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4919 3.6640 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 3.4830 2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1703 5.0350 2.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4431 4.0688 4.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4793 3.2628 4.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5415 3.4754 6.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3587 1.4908 2.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4635 0.9570 5.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7264 1.7199 3.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6002 0.5959 1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7813 0.1124 -0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0452 -0.9301 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1616 -1.6733 -1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8245 -2.8870 1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 -1.1743 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 -2.0487 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1166 -5.2840 -3.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -3.2116 -2.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1281 -5.0193 -2.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6103 -3.6385 -4.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8267 -3.7261 -5.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3461 -1.6714 -5.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1404 -3.8471 -5.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4781 -1.1067 -4.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8706 -1.8495 -3.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0798 -4.6770 -3.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2286 -2.9513 0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7515 -4.2438 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6129 -1.8704 3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 -1.2423 2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0286 0.1595 5.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4321 -1.3197 4.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2312 -0.1928 5.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 1.2571 4.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 0.4487 3.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4933 -0.6970 5.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0983 -0.1272 4.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1554 -2.4946 4.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9331 -1.7023 2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -3.0582 4.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2035 -2.3198 3.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3182 -4.7288 3.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5116 -3.9169 2.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6569 -5.2104 3.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0705 -4.2141 2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4972 -6.8510 2.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -5.8867 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1202 -5.9610 1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 -7.2272 2.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2474 -8.1281 0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6992 -8.6356 1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 -7.2440 -0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5905 -8.0260 -1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1781 -5.1924 -0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3052 -5.5221 -1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1359 -6.4414 -1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3063 -6.4395 -2.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6543 -3.9924 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9397 -4.1285 -0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6497 -4.5410 -2.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4856 -4.0292 -3.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6156 -2.4717 -1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5828 -2.1068 -3.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0161 -2.0868 -1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2487 -1.7762 -3.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5760 0.1697 -2.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 -0.2573 -1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2448 0.7079 -2.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3096 1.6244 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9398 -0.0364 0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -0.9274 -0.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 0.3667 1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1353 0.8567 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1858 2.1178 1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8129 2.7788 -0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5608 3.1671 0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8221 2.5004 1.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 4.9959 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 4.9656 0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 4.2903 2.4729 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 0 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 35 37 1 0 37 38 1 0 26 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 18 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 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 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 41 21 1 0 37 28 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 6 82 1 0 7 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 9 88 1 0 10 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 12 94 1 0 13 95 1 0 13 96 1 0 14 97 1 0 15 98 1 0 16 99 1 0 17100 1 0 18101 1 0 19102 1 0 19103 1 0 21104 1 6 23105 1 6 24106 1 0 24107 1 0 25108 1 0 26109 1 6 28110 1 6 30111 1 6 31112 1 0 31113 1 0 32114 1 0 33115 1 6 34116 1 0 35117 1 6 36118 1 0 37119 1 6 38120 1 0 39121 1 6 40122 1 0 41123 1 1 42124 1 0 43125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 55144 1 0 55145 1 0 56146 1 0 56147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 59152 1 0 59153 1 0 60154 1 0 60155 1 0 61156 1 0 61157 1 0 62158 1 0 62159 1 0 63160 1 0 63161 1 0 64162 1 0 64163 1 0 65164 1 0 65165 1 0 66166 1 0 66167 1 0 67168 1 0 67169 1 0 68170 1 0 68171 1 0 69172 1 0 69173 1 0 69174 1 0 M END