Accord 08271317182D 117122 0 0 0 0 0 0 0 0999 V2000 22.9190 7.2837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1779 7.7105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4366 7.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3474 6.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4906 6.5427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6604 7.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7142 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7142 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9732 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5814 8.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7649 8.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2266 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4795 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7326 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9855 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2385 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4915 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7445 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9975 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2505 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5035 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7564 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0095 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2624 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5155 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7684 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0215 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2744 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5275 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7804 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0335 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6893 7.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9423 7.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1952 7.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4483 7.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7012 7.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9543 7.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2072 7.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4603 7.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7132 7.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9663 7.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2192 7.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4721 7.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7252 7.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9781 7.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6658 9.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9877 9.7378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0347 10.0103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0758 9.7590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5802 10.6174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5332 10.3451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0900 10.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1515 9.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3538 9.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0474 10.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4921 10.5962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6070 10.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3693 10.0491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4163 10.3216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4575 10.0703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9619 10.9287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9149 10.6564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4717 10.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5332 9.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7355 10.2639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9507 11.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8738 10.9075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9886 11.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7444 9.3771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7914 9.6496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8326 9.3984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3370 10.2568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2900 9.9845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8468 10.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9083 9.2198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1106 9.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8042 9.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2489 10.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3637 10.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7741 9.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1053 8.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3424 9.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1195 8.7052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1665 8.9777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2077 8.7265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7121 9.5848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6651 9.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2219 9.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2834 8.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4857 8.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7009 10.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6240 9.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7388 9.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4946 8.0332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5416 8.3057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5828 8.0545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0872 8.9129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0402 8.6406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5970 8.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6585 7.8759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8608 8.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.6053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9991 8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1139 9.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5243 7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8554 7.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0926 7.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2826 10.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5326 10.0483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9270 10.6600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9148 10.9837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8442 11.3002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2927 11.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1579 9.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3306 10.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6253 10.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4499 10.6887 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 65 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 109110 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 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 108117 1 0 0 0 0 77108 1 0 0 0 0 M END > LMISSP0504AR04 > > GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C80H145N3O32 > 1659.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260751 > - > - > Active (generated by computational methods) > - $$$$