Accord 08271317192D 100104 0 0 0 0 0 0 0 0999 V2000 21.2375 7.7405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5100 8.1593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7823 7.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6582 7.0129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8169 7.0129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9654 8.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0548 6.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0548 5.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3273 7.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9061 8.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1045 8.8614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5944 6.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8611 7.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1277 6.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3944 7.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6611 6.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0487 8.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3153 7.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5820 8.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8487 7.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1152 8.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3821 7.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6487 8.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9153 7.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6611 5.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9153 7.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1118 6.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3083 7.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5047 6.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7012 7.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8977 6.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8646 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0681 5.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2717 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4752 5.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6787 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8822 5.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0857 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2892 5.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 5.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9704 10.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3050 10.1486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3699 10.4160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4291 10.1695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9427 11.0117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8778 10.7446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4430 10.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4846 9.9942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7206 10.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4200 10.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8188 10.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9502 11.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7546 10.4541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8195 10.7214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8787 10.4749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3923 11.3172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3274 11.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8926 11.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9341 10.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1702 10.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3814 11.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2684 11.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3998 11.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3513 10.7672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5853 10.1678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2317 9.2618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2645 9.3634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0303 9.9629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5716 9.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9939 10.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6617 8.8003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8148 9.6766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3840 10.8689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5941 10.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6892 7.9302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7541 8.1975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8133 7.9510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3269 8.7933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2620 8.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8272 8.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8687 7.7758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1048 8.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 8.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2030 8.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3344 9.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7371 7.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0620 7.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3135 7.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1388 8.2356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2037 8.5030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2629 8.2565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7765 9.0988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7116 8.8316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2768 9.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3183 8.0813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7656 9.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6526 9.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7840 9.4233 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 61 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 84 90 1 0 0 0 0 M END > LMISSP0505DD02 > > Galbeta1-4GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C68H124N2O28 > 1416.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261597 > - > - > Active (generated by computational methods) > - $$$$