Accord 08271317192D 140147 0 0 0 0 0 0 0 0999 V2000 24.3075 7.5844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6201 7.9802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9325 7.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7050 6.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9101 6.8969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1899 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1899 5.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5025 6.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9943 8.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2369 8.6436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8099 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1170 6.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4240 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7311 6.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0382 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2392 7.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5462 7.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8533 7.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1603 7.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4673 7.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7745 7.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0815 7.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3885 7.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0382 5.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3885 6.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6292 6.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8700 6.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1107 6.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3514 6.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5922 6.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2856 5.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5329 5.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7803 5.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0277 5.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2750 5.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5224 5.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7697 5.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0171 5.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2645 5.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5118 5.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7592 5.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0066 5.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2539 5.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5013 5.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7487 5.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9960 5.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3713 9.8600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4877 10.1126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5986 9.8797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1391 10.6756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0227 10.4231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6118 10.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5960 9.7141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9292 10.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6451 10.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9118 10.6559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0911 10.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0164 10.1486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1328 10.4012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2437 10.1683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7842 10.9642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6678 10.7117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2569 10.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2411 10.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5743 10.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7738 11.4819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5569 10.9446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7362 11.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6554 9.5256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7718 9.7782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8828 9.5453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4232 10.3412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3068 10.0887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8959 10.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8801 9.3797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2133 9.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9292 10.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1959 10.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3752 10.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7557 9.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0627 8.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3555 9.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3005 9.8142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4169 10.0669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5279 9.8339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0683 10.6298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9519 10.3773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5410 10.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5252 9.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8584 10.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0580 11.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8410 10.6102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0203 10.9364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0846 10.1101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3608 9.5438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0267 8.6876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1127 8.7836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8363 9.3501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4029 9.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7469 9.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4880 8.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7895 9.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1706 10.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4242 9.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8307 9.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1891 9.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5954 8.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5691 7.4293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6855 7.6819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7965 7.4490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3369 8.2449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2205 7.9924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8096 8.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7938 7.2834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 7.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3266 8.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1096 8.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2889 8.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3102 7.2834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9111 6.5923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1391 6.7946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1784 6.5752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7708 7.2664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2580 7.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4924 6.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7354 6.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1784 6.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5429 7.0642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0416 9.6683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0499 8.8703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2825 8.6514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5672 7.9736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7252 8.8700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3538 8.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4710 9.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1405 8.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8356 7.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4927 9.0890 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 2 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 103110 1 0 0 0 0 121122 1 1 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 116121 1 0 0 0 0 131132 1 1 0 0 0 132133 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 131140 1 0 0 0 0 91131 1 0 0 0 0 M END > LMISSP0505AI07 > > Fucalpha1-2Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C94H167N3O41 > 1994.11 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261042 > - > - > Active (generated by computational methods) > - $$$$