Accord 08271317192D 108113 0 0 0 0 0 0 0 0999 V2000 22.2649 7.7677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5295 8.1911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7938 7.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6901 7.0322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8397 7.0322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0007 8.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0693 6.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0693 5.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3338 7.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9298 8.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1195 8.9008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5929 6.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8516 7.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1102 6.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3689 7.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6276 6.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0522 8.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3108 7.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5695 8.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8281 7.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0867 8.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3455 7.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6041 8.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8627 7.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6276 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8627 7.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0504 6.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2382 7.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4258 6.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6135 7.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8013 6.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8224 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0172 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2120 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4068 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6016 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7964 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9913 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1861 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0057 10.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3331 10.2021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3878 10.4724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4367 10.2232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9451 11.0747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8904 10.8046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4508 11.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5037 10.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7205 10.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4166 10.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8416 11.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9635 11.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7439 10.5109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7986 10.7812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8475 10.5320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3559 11.3835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3012 11.1134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8616 11.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9145 10.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1313 10.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3448 11.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2524 11.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3743 11.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1482 9.8444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2029 10.1147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2518 9.8655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7602 10.7169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7055 10.4469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2659 10.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3188 9.6883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5356 10.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2317 10.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6567 10.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7786 11.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1857 9.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5142 9.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7575 9.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5591 10.1532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6137 10.4235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6626 10.1743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1710 11.0257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1163 10.7557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6767 11.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7296 9.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9464 10.3662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1599 11.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0675 11.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1895 11.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1186 10.4697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3442 9.8638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9868 8.9479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0090 9.0506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7831 9.6567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3194 9.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7573 9.7070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4105 8.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1408 10.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3422 10.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2122 9.9971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2211 9.1434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4001 8.9092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6349 8.1840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8039 9.1431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4066 8.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6716 9.6035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2482 8.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9220 7.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 9.3774 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 84 88 1 0 0 0 0 99100 1 1 0 0 0 100101 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 99108 1 0 0 0 0 83 99 1 0 0 0 0 M END > LMISSP0505AE01 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C72H130N2O32 > 1534.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261004 > - > - > Active (generated by computational methods) > - $$$$