Accord 08271317182D 138145 0 0 0 0 0 0 0 0999 V2000 24.3403 7.0159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6855 7.3930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0306 7.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7187 6.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9618 6.3613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2759 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2759 5.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6212 6.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0420 8.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3206 8.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9616 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3016 6.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6417 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9817 6.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3217 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6617 6.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0018 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3418 6.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6819 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0219 6.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3619 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7020 6.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0420 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3821 6.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7221 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0622 6.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4022 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7423 6.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0823 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4224 6.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3704 7.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7104 7.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0504 7.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3905 7.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7305 7.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0706 7.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4106 7.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7507 7.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0907 7.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4308 7.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7708 7.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1108 7.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4509 7.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7909 7.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4009 9.1840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5590 9.4248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7119 9.2028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2740 9.9612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1159 9.7206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7244 9.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6622 9.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0740 9.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 9.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9631 9.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 10.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2042 9.4591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3623 9.6998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5152 9.4779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0773 10.2362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9193 9.9956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5277 10.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4655 9.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8773 9.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0675 10.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7664 10.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9844 10.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0017 8.8654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1598 9.1062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3127 8.8842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8748 9.6426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7168 9.4020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3252 9.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2630 8.7264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6748 9.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4041 9.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5640 9.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7819 9.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1445 8.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4370 8.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7631 8.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7992 8.2718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9573 8.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1102 8.2906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6723 9.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5143 8.8084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1227 9.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0605 8.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4723 8.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6625 9.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3615 9.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5794 9.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5968 7.6781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7548 7.9189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9077 7.6969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4698 8.4553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3118 8.2147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9203 8.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 7.5391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 7.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9991 8.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1590 8.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3769 8.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7395 7.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0321 7.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3581 7.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4001 7.9532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5581 8.1939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7110 7.9720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2731 8.7303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1151 8.4897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7236 8.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6614 7.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0731 8.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 9.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9623 8.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1802 9.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2005 7.8142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8202 7.1556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0847 7.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1693 7.1393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7337 7.7979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2451 7.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3742 7.3041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 6.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1693 6.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4694 7.6053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5325 7.7757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5404 7.0154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8092 6.8068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1276 6.1609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2782 7.0151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9243 6.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9416 7.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6739 6.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3834 5.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0095 7.2238 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 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 119120 1 1 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 114119 1 0 0 0 0 129130 1 1 0 0 0 130131 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 129138 1 0 0 0 0 101129 1 0 0 0 0 M END > LMISSP0504AW04 > > Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C92H165N3O41 > 1968.09 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260791 > - > - > Active (generated by computational methods) > - $$$$