Accord 08271317182D 118123 0 0 0 0 0 0 0 0999 V2000 24.3208 7.0788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6467 7.4669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9724 7.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7104 6.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9311 6.4047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 7.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2249 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2249 5.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5509 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0137 8.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2710 8.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8718 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1923 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5128 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8333 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1539 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4744 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7950 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1155 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4361 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7566 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0771 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3977 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7181 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0387 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3592 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6798 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0003 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3209 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6414 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9620 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2927 7.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6132 7.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9337 7.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2543 7.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5748 7.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8953 7.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2158 7.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5364 7.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8569 7.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1775 7.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4980 7.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8185 7.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1391 7.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4596 7.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3832 9.3109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5164 9.5588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6443 9.3303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1934 10.1111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0603 9.8634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6572 10.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6227 9.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9875 9.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7088 9.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9325 10.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1273 10.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0920 9.5941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2252 9.8420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3531 9.6135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9023 10.3942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7691 10.1465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3660 10.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3315 9.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6964 9.7895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8921 10.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6413 10.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8362 10.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7949 8.9829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9281 9.2308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0560 9.0023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6051 9.7830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4719 9.5354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0689 9.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0344 8.8398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3992 9.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1205 9.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3442 9.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5390 10.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9123 8.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2135 8.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5197 8.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4978 8.3717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6309 8.6196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7588 8.3911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3080 9.1718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1748 8.9242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7717 9.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7372 8.2286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1021 8.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2978 9.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0470 9.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2419 9.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2006 7.7605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3338 8.0084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4617 7.7799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0108 8.5607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8777 8.3130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4746 8.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4401 7.6174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8049 7.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5262 8.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7499 8.5414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9447 8.8615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3180 7.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 7.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9254 7.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9035 7.1494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0366 7.3972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1645 7.1687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7137 7.9495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5805 7.7018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1774 7.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1429 7.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 7.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7035 8.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4527 7.9302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6476 8.2503 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 M END > LMISSP0504AL04 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C80H145N3O33 > 1675.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260703 > - > - > Active (generated by computational methods) > - $$$$