Accord 08271317182D 128134 0 0 0 0 0 0 0 0999 V2000 24.3405 7.0169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6860 7.3938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0313 7.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9621 6.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2765 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2765 5.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6220 6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0424 8.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3212 8.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9626 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3029 6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6432 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9834 6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3238 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6640 6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0043 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3446 6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6849 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0251 6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3654 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7057 6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0459 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3863 6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7265 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0668 6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4071 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7474 6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0876 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4279 6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3714 7.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7116 7.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0518 7.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3921 7.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7324 7.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0727 7.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4129 7.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7533 7.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0935 7.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4338 7.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7741 7.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1143 7.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4546 7.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7949 7.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 9.1843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5595 9.4249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7127 9.2031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2750 9.9611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1166 9.7207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7252 9.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6627 9.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0751 9.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8045 9.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9635 9.9424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1818 10.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2056 9.4592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3640 9.6998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5172 9.4780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0794 10.2361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9211 9.9956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5297 10.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4671 9.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8795 9.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0696 10.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7680 10.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9862 10.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0042 8.8658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1626 9.1064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3158 8.8846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8781 9.6426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7197 9.4022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3283 9.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2658 8.7268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6782 9.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4076 9.3710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5666 9.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7849 9.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 8.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4397 8.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7661 8.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8029 8.2723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9613 8.5130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1145 8.2911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6767 9.0492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5184 8.8087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1270 9.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0644 8.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4768 8.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6669 9.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3653 9.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5835 9.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6015 7.6789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7599 7.9196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9131 7.6977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4754 8.4558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3170 8.2153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9256 8.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8631 7.5400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2755 7.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0049 8.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1639 8.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3822 8.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7446 7.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0370 7.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3634 7.3552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 7.0855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5586 7.3261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7118 7.1043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2740 7.8623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1157 7.6219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7243 7.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6618 6.9465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0741 7.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2642 8.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9626 7.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1808 8.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2011 6.9465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8209 6.2882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0856 6.4809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1706 6.2719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7348 6.9303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2464 6.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3747 6.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7011 6.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1706 5.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4702 6.7378 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 101108 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 M END > LMISSP0504AN04 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C86H155N3O37 > 1822.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260719 > - > - > Active (generated by computational methods) > - $$$$