Accord 08271317182D 138145 0 0 0 0 0 0 0 0999 V2000 24.3403 7.0157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6855 7.3928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0306 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7187 6.3611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9617 6.3611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2758 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2758 5.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6212 6.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0420 8.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3206 8.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9615 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3015 6.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6416 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9816 6.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3217 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6617 6.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0018 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3418 6.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6819 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0219 6.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3618 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7019 6.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0419 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3820 6.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7220 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0621 6.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4021 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7422 6.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0822 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4223 6.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3704 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7104 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0504 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3905 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7305 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0705 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4105 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7506 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0906 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4307 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7707 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1107 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4508 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7908 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4009 9.1839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5590 9.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7119 9.2027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2740 9.9610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1159 9.7205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7244 9.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6622 9.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0740 9.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 9.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9631 9.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 10.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2042 9.4589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3623 9.6996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5152 9.4777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0773 10.2360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9192 9.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5277 10.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4655 9.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8773 9.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0674 10.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7664 10.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9844 10.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0017 8.8653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1597 9.1060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3126 8.8841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8748 9.6424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7167 9.4018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3252 9.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2630 8.7263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6748 9.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4041 9.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5639 9.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7819 9.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1444 8.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4370 8.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7631 8.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7992 8.2716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9572 8.5123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1101 8.2904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6722 9.0488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5142 8.8082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1227 9.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0605 8.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4722 8.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6624 9.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3614 9.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5793 9.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5967 7.6780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7547 7.9187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9076 7.6968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4697 8.4551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3117 8.2146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9201 8.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8579 7.5390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2697 7.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9990 8.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1589 8.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3768 8.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7394 7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0319 7.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3580 7.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3999 7.9530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5580 8.1937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7109 7.9718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2730 8.7301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1150 8.4896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7234 8.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6612 7.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 8.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2631 9.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9622 8.7114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1801 9.0223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2004 7.8140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8201 7.1555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0845 7.3482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1691 7.1392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7336 7.7978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2450 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3740 7.3039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6998 6.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1691 6.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4692 7.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9432 9.8315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2806 9.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7456 9.9986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8513 10.2846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6724 10.5643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1852 10.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8331 9.3041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2187 9.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5956 9.8523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2076 10.0240 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 77129 1 0 0 0 0 M END > LMISSP0504AT04 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C92H165N3O41 > 1968.09 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260767 > - > - > Active (generated by computational methods) > - $$$$