Accord 08271317182D 132138 0 0 0 0 0 0 0 0999 V2000 24.3402 8.5652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6857 8.9419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0310 8.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7186 7.9106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9619 7.9106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 8.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2762 7.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2762 6.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6217 7.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0420 9.5592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3209 9.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9624 7.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3026 7.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6429 7.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9831 7.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3234 7.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6636 7.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0039 7.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3442 7.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6844 7.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0247 7.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3650 7.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3735 6.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0339 6.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0424 5.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3845 5.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7230 5.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0651 5.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4035 5.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7457 5.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0840 5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4263 5.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7645 5.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1068 5.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4451 5.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3710 8.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7113 8.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0515 8.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3918 8.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7320 8.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0724 8.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4126 8.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7529 8.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0932 8.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4335 8.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7737 8.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1139 8.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4542 8.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7944 8.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4009 10.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5590 10.9741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7119 10.7521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2741 11.5105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1160 11.2699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7245 11.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6622 10.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0741 10.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8034 11.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9632 11.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 11.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2043 11.0084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3624 11.2491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5153 11.0272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0775 11.7855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9194 11.5449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5279 11.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4656 10.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8775 11.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0676 12.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7665 11.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9845 12.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0019 10.4147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1600 10.6555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3129 10.4335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8750 11.1919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7170 10.9513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3254 11.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2632 10.2757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 10.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4044 10.9202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5641 11.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7821 11.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1447 10.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4372 9.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7633 10.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7995 9.8211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9576 10.0618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1105 9.8399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6726 10.5982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5145 10.3577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1230 10.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0608 9.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4726 10.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6628 11.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3617 10.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5797 10.8904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5971 9.2275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7551 9.4682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9081 9.2463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4702 10.0046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3121 9.7641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9206 9.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8584 9.0885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2702 9.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9995 9.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1593 9.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3773 10.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7398 8.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0324 8.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3585 8.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4004 9.5025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5585 9.7432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7115 9.5213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2736 10.2796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1155 10.0391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7240 10.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6618 9.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0736 9.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2637 10.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9627 10.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1807 10.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2009 9.3635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8207 8.7050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0851 8.8977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1697 8.6887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7341 9.3473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2456 9.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3746 8.8535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7004 8.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1697 8.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4698 9.1547 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 M END > LMISSP0504AV08 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C90H161N3O37 > 1876.08 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260787 > - > - > Active (generated by computational methods) > - $$$$