Accord 08271317192D 142149 0 0 0 0 0 0 0 0999 V2000 24.3400 7.4644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6849 7.8415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0296 7.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9613 6.8092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2749 6.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2749 5.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6198 6.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0416 8.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3197 8.4738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9598 6.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2993 6.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6389 6.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9785 6.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3182 6.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3689 7.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7085 7.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0480 7.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3876 7.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7271 7.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0669 7.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4064 7.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7460 7.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3182 5.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7460 6.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0223 6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2988 6.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5751 6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8515 6.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1279 6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6009 5.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8836 5.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1663 5.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4490 5.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7318 5.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0145 5.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2972 5.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5799 5.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8626 5.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1453 5.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4280 5.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7107 5.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9934 5.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2762 5.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5589 5.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8416 5.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1243 5.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 5.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4008 9.6330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5587 9.8738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7114 9.6519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2735 10.4103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1156 10.1697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7240 10.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6619 9.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0734 9.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8027 10.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9629 10.3916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1807 10.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2035 9.9081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3614 10.1489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5141 9.9269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0761 10.6854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9182 10.4448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5266 10.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4646 9.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8761 10.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0663 11.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7656 10.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9834 10.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0003 9.3144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1582 9.5552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3110 9.3332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8730 10.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7151 9.8511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3235 10.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2615 9.1754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6729 9.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4022 9.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5625 10.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7803 10.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1429 8.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4355 8.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7615 8.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8030 9.5894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9609 9.8302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1136 9.6082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6757 10.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5178 10.1261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1262 10.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0641 9.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4756 9.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6658 10.8601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3651 10.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5829 10.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5999 8.9957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7578 9.2365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9105 9.0145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4725 9.7730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3146 9.5324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9230 9.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8610 8.8567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2725 9.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0017 9.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1620 9.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3798 10.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7424 8.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0350 8.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3610 8.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4025 9.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5604 9.5115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7131 9.2896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2752 10.0481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1173 9.8075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7257 10.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6637 9.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0751 9.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2653 10.5414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9646 10.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1825 10.3403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2027 9.1317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8224 8.4731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0867 8.6658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1711 8.4568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7356 9.1155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2470 8.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3764 8.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7019 8.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1711 7.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4714 8.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5350 9.0933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5429 8.3328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8115 8.1242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1298 7.4781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2805 8.3325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9265 7.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9442 8.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6762 7.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3856 7.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0118 8.5412 0.0000 O 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 118123 1 0 0 0 0 133134 1 1 0 0 0 134135 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 133142 1 0 0 0 0 105133 1 0 0 0 0 M END > LMISSP0505AZ06 > > Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C96H173N3O41 > 2024.15 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261177 > - > - > Active (generated by computational methods) > - $$$$