LMSP0601CU02 LIPID_MAPS_STRUCTURE_DATABASE 173180 0 0 0 999 V2000 25.0270 -12.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0468 -11.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0663 -12.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5937 -13.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4604 -13.0699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.0076 -11.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4334 -13.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4334 -14.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4532 -13.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5803 -10.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5004 -10.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4658 -13.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4776 -13.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4896 -13.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5016 -13.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5135 -13.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0778 -11.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0898 -12.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1016 -11.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1136 -12.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -11.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1375 -12.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1494 -11.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1613 -12.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5135 -14.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1613 -13.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0787 -13.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -13.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9133 -13.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8307 -13.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7482 -13.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4404 -15.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3672 -14.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2941 -15.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2209 -14.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1478 -15.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0746 -14.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 -15.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9281 -14.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0144 -8.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2771 -8.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8003 -9.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8464 -9.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3699 -8.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8466 -7.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4582 -6.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2772 -10.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1717 -9.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4157 -8.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8005 -7.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8465 -6.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6633 -9.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7095 -9.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2325 -8.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3212 -6.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1402 -10.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0349 -9.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2399 -8.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7095 -6.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6633 -7.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7095 -7.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1402 -8.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5617 -5.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3011 -6.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3531 -6.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0921 -7.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7809 -7.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7288 -7.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7604 -4.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9881 -6.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6658 -5.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1441 -7.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5199 -8.9086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5726 -9.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3113 -10.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8860 -8.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1281 -9.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1321 -7.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6438 -6.6327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1595 -5.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1423 -7.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6343 -8.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6275 -8.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1337 -7.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 -6.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1480 -5.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8920 -9.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6375 -8.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3845 -9.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4405 -10.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7494 -9.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0023 -8.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3117 -7.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3683 -8.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6777 -7.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9838 -8.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7977 -8.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6253 -7.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1875 -11.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8053 -9.7016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5645 -6.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 -8.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9462 -8.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2551 -7.5613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5831 -10.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 -10.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2486 -11.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 -6.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2170 -8.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0472 -9.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1288 -9.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3802 -9.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5499 -8.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8017 -7.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -8.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1356 -7.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5158 -8.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3221 -7.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1084 -7.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 -9.5951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9714 -6.7085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4683 -7.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7194 -7.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 -10.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 -10.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3057 -6.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6399 -8.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -10.8516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0211 -10.9046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6479 -4.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1592 -4.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1819 -4.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6932 -4.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1818 -3.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6935 -2.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7169 -2.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2284 -1.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1203 -3.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9199 -3.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9230 -2.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7158 -4.0049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1819 -1.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5158 -2.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1591 -3.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6702 -2.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2866 -4.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5366 -4.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7054 -0.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5029 -2.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0897 -3.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1162 -3.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5558 -2.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9687 -1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4084 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4356 -0.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8751 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9367 -1.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7472 -1.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6835 -1.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5819 -2.5190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8213 0.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9423 -1.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3813 -0.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2191 -3.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4706 -3.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2890 0.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0109 -1.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7029 -4.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7833 -3.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7938 -5.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6932 -5.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -15.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7768 -14.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 6 40 1 0 0 0 0 41 42 1 0 0 0 43 42 1 0 0 0 44 43 1 0 0 0 44 45 1 0 0 0 45 46 1 1 0 0 45 50 1 0 0 0 41 50 1 0 0 0 42 47 1 6 0 0 43 48 1 1 0 0 44 49 1 1 0 0 46 51 1 0 0 0 53 52 1 0 0 0 54 53 1 0 0 0 52 56 1 6 0 0 53 57 1 1 0 0 41 58 1 1 0 0 54 58 1 6 0 0 55 59 1 0 0 0 61 60 1 0 0 0 54 61 1 0 0 0 61 55 1 1 0 0 62 52 1 0 0 0 62 60 1 0 0 0 65 71 1 1 0 0 66 72 1 1 0 0 67 73 1 6 0 0 68 49 1 1 0 0 64 63 1 1 0 0 65 64 1 0 0 0 66 65 1 0 0 0 67 66 1 0 0 0 68 67 1 0 0 0 70 68 1 0 0 0 64 70 1 0 0 0 69 63 1 0 0 0 73 74 1 0 0 0 74 75 2 0 0 0 74 76 1 0 0 0 80 86 1 0 0 0 85 79 1 0 0 0 79 81 1 0 0 0 81 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 85 86 1 1 0 0 81 72 1 1 0 0 82 77 1 6 0 0 84 78 1 1 0 0 96 97 2 0 0 0 96 98 1 0 0 0 88 96 1 1 0 0 89 88 1 0 0 0 89 90 1 0 0 0 88103 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 92 93 1 0 0 0 92103 1 0 0 0 93 94 1 0 0 0 94 95 1 0 0 0 90 99 1 6 0 0 91100 1 1 0 0 93101 1 1 0 0 94102 1 6 0 0 92104 1 1 0 0 100105 1 0 0 0 105106 1 0 0 0 105107 2 0 0 0 88 87 1 6 0 0 95108 1 0 0 0 117118 2 0 0 0 117119 1 0 0 0 109117 1 1 0 0 110109 1 0 0 0 110111 1 0 0 0 109122 1 0 0 0 111112 1 0 0 0 112113 1 0 0 0 113114 1 0 0 0 113122 1 0 0 0 114115 1 0 0 0 115116 1 0 0 0 112120 1 1 0 0 114121 1 1 0 0 113123 1 1 0 0 120124 1 0 0 0 124125 1 0 0 0 116126 1 0 0 0 115127 1 6 0 0 124129 2 0 0 0 111128 1 6 0 0 109102 1 6 0 0 83 87 1 1 0 0 138139 2 0 0 0 138140 1 0 0 0 130138 1 1 0 0 131130 1 0 0 0 131132 1 0 0 0 130144 1 0 0 0 132133 1 0 0 0 133134 1 0 0 0 134135 1 0 0 0 134144 1 0 0 0 135136 1 0 0 0 136137 1 0 0 0 133141 1 1 0 0 135142 1 1 0 0 136143 1 6 0 0 134145 1 1 0 0 141146 1 0 0 0 146147 1 0 0 0 137148 1 0 0 0 157158 2 0 0 0 157159 1 0 0 0 149157 1 1 0 0 150149 1 0 0 0 150151 1 0 0 0 149162 1 0 0 0 151152 1 0 0 0 152153 1 0 0 0 153154 1 0 0 0 153162 1 0 0 0 154155 1 0 0 0 155156 1 0 0 0 152160 1 1 0 0 154161 1 1 0 0 153163 1 1 0 0 160164 1 0 0 0 164165 1 0 0 0 156166 1 0 0 0 155167 1 6 0 0 164169 2 0 0 0 151168 1 6 0 0 149143 1 6 0 0 146170 2 0 0 0 132171 1 6 0 0 130 69 1 6 0 0 62 40 1 1 0 0 172173 1 0 0 0 0 39172 1 0 0 0 0 M END > LMSP0601CU02 > GQ1b(d18:1/18:0) > NeuAcalpha2-8NeuAcalpha2-3Galbeta1-3(NeuAcalpha2-8NeuAcalpha2-6)GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C106H182N6O55 > 2419.16 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > KMDSQAMZQLZSDL-IXSHOHGGSA-N > InChI=1S/C106H182N6O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-70(132)112-56(57(125)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)49-152-96-84(141)82(139)88(67(47-118)155-96)159-97-85(142)83(140)87(68(48-119)156-97)158-95-75(111-55(7)124)89(81(138)69(157-95)50-153-103(99(144)145)38-58(126)73(109-53(5)122)92(163-103)79(136)65(45-116)161-104(100(146)147)39-59(127)71(107-51(3)120)90(164-104)76(133)62(130)42-113)160-98-86(143)94(78(135)64(44-115)154-98)167-106(102(150)151)41-61(129)74(110-54(6)123)93(166-106)80(137)66(46-117)162-105(101(148)149)40-60(128)72(108-52(4)121)91(165-105)77(134)63(131)43-114/h34,36,56-69,71-98,113-119,125-131,133-143H,8-33,35,37-50H2,1-7H3,(H,107,120)(H,108,121)(H,109,122)(H,110,123)(H,111,124)(H,112,132)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/b36-34+/t56-,57+,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,71+,72+,73+,74+,75+,76+,77+,78-,79+,80+,81-,82+,83+,84+,85+,86+,87-,88+,89+,90+,91+,92+,93+,94-,95-,96+,97-,98-,103+,104+,105+,106-/m0/s1 > [C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3NC(C)=O)O[C@H]3[C@H](O)[C@@H](O[C@]4(O[C@@]([H])([C@H](O)[C@H](O[C@]5(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C5)C(O)=O)CO)[C@H](NC(=O)C)[C@@H](O)C4)C(O)=O)[C@@H](O)[C@@H](CO)O3)O)CO[C@]3(O[C@@]([H])([C@H](O)[C@H](O[C@]4(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C4)C(O)=O)CO)[C@H](NC(=O)C)[C@@H](O)C3)C(O)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(3)-HexNAc-NeuAc(4)-Cer 36:1;O2 > - > - > 44262525 > - > - > - > - > - > - > - $$$$