Accord 08271317182D 118123 0 0 0 0 0 0 0 0999 V2000 24.2863 7.1809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5780 7.5888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8695 7.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6957 6.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8768 6.4728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9949 7.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1348 6.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1348 5.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4266 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9636 8.2567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1832 8.2723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7130 6.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9990 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2851 6.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5711 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8572 6.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1432 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4293 6.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7153 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0015 6.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2874 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5735 6.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8596 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1456 6.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4317 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7177 6.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0038 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2898 6.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5759 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8619 6.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1480 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1553 7.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4413 7.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7273 7.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0134 7.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2994 7.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5855 7.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8715 7.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1576 7.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4436 7.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7298 7.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0158 7.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3018 7.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5879 7.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8739 7.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3519 9.5264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4411 9.7869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5247 9.5468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0510 10.3672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9618 10.1069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5382 10.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5528 9.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8346 9.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5418 10.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8783 10.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0323 10.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8937 9.8239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9829 10.0844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0665 9.8443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5928 10.6647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5036 10.4044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0800 10.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0945 9.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3764 10.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5821 11.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4201 10.6444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5741 10.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9340 10.9490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0232 11.2095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1068 10.9694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6332 11.7898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5439 11.5295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1203 11.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1348 10.7987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4167 11.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6225 12.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4604 11.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6144 12.1058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0066 10.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3231 10.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5941 10.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4696 10.3068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5588 10.5673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6424 10.3272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1687 11.1476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0795 10.8873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6559 11.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6704 10.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9523 10.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1580 11.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9960 11.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1500 11.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0051 9.6646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0943 9.9251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1778 9.6850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7041 10.5053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6150 10.2451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1914 10.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2059 9.5143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4878 9.8699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 11.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5315 10.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6855 10.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0777 9.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3942 9.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6651 9.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0436 10.8529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1328 11.1134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2164 10.8733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7427 11.6936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6535 11.4334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2299 11.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2444 10.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5263 11.0582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 12.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5700 11.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 12.0097 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 3 32 2 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 66 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 M END > LMISSP0503AD04 > > Galbeta1-4GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C80H145N3O33 > 1675.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260511 > - > - > Active (generated by computational methods) > - $$$$