Accord 08271317182D 111115 0 0 0 0 0 0 0 0999 V2000 22.4302 9.0456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6876 9.4731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9448 9.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8595 8.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0009 8.3029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1731 9.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2229 7.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2229 7.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4804 8.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0919 10.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2737 10.1898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7323 7.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9837 8.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2353 7.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4868 8.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7383 7.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9897 8.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2412 7.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4927 8.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7441 7.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9956 8.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2471 7.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2567 7.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0061 6.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0157 5.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2693 5.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5187 5.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7723 5.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0216 5.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2753 5.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5245 5.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7783 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0275 5.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2812 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5306 5.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1960 9.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4475 9.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6989 9.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9504 9.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2018 9.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4534 9.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7048 9.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9563 9.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2078 9.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4594 9.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7108 9.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9622 9.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2138 9.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4652 9.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1788 11.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4991 11.5055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5439 11.7787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5828 11.5269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0860 12.3872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0412 12.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5970 12.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6610 11.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8591 11.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5520 12.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0024 12.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1151 12.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8723 11.8176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9171 12.0907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9560 11.8389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4592 12.6993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4144 12.4263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9702 12.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0342 11.6599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2323 12.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4480 13.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3756 12.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4883 13.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7683 12.9975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8131 13.2706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8520 13.0188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3552 13.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3104 13.6063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8662 13.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9302 12.8398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1283 13.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3440 14.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2716 13.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3844 14.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7957 12.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1276 12.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3630 12.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1349 12.3240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1797 12.5971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2186 12.3453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7218 13.2057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6770 12.9328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2328 13.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2968 12.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4949 12.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7106 13.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6382 13.1845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7510 13.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5015 11.6505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5463 11.9236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5852 11.6718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0884 12.5322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0436 12.2592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5994 12.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 11.4928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8615 11.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 12.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0048 12.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1176 12.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5289 11.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8608 11.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0962 11.2831 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 16 17 1 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 24 25 1 0 0 0 0 25 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 31 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 3 36 2 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 70 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 80 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 M END > LMISSP0503AE06 > > GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C78H143N3O28 > 1569.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260521 > - > - > Active (generated by computational methods) > - $$$$