Accord 08271317182D 142149 0 0 0 0 0 0 0 0999 V2000 24.3402 8.5646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6857 8.9413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0310 8.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7186 7.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9618 7.9100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 8.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2761 7.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2761 6.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6216 7.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0420 9.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3208 9.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9623 7.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3025 7.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6427 7.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9830 7.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3233 7.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6635 7.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0037 7.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3440 7.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6842 7.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0245 7.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3647 7.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3732 6.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0337 6.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0422 5.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3843 5.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7227 5.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0648 5.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4032 5.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7454 5.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0836 5.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4259 5.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7641 5.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1064 5.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4447 5.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3710 8.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7112 8.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0514 8.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 8.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7319 8.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0722 8.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4124 8.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7527 8.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0929 8.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4332 8.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7734 8.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1136 8.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4539 8.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7941 8.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4009 10.7328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5590 10.9735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7119 10.7516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2740 11.5099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1159 11.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7244 11.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6622 10.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0740 10.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 11.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9631 11.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 11.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2042 11.0078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3623 11.2486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5152 11.0266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0773 11.7850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9192 11.5444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5277 11.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4655 10.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8773 11.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0674 12.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7664 11.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9844 12.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0017 10.4142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1598 10.6549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3127 10.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8748 11.1913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7167 10.9508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3252 11.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2630 10.2752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6748 10.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4041 10.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5639 11.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7819 11.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1445 10.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4370 9.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7631 10.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7992 9.8205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9573 10.0613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1102 9.8393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6723 10.5977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5142 10.3571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1227 10.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0605 9.6815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4723 10.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6624 11.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3614 10.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5794 10.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5967 9.2269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7547 9.4676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9076 9.2457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4698 10.0040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3117 9.7635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9202 9.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 9.0879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 9.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9991 9.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1589 9.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3769 10.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7394 8.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 8.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3581 8.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 9.5019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5580 9.7426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7109 9.5207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2731 10.2791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1150 10.0385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7235 10.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6613 9.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0731 9.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 10.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9622 10.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1802 10.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2004 9.3629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8202 8.7044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0846 8.8971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1692 8.6881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7336 9.3467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2450 9.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3741 8.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6999 8.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1692 8.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4693 9.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9433 11.3804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2807 11.0072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7456 11.5475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8514 11.8335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6725 12.1132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1853 12.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8331 10.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2187 11.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5956 11.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2076 11.5729 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 2 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 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 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 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 81133 1 0 0 0 0 M END > LMISSP0504AT08 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C96H171N3O41 > 2022.14 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260771 > - > - > Active (generated by computational methods) > - $$$$