Accord 08271317182D 101105 0 0 0 0 0 0 0 0999 V2000 20.2555 7.2658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5210 7.6887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7862 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6801 6.5312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8309 6.5312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9904 7.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0615 6.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0615 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3269 6.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9209 8.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1116 8.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5869 6.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8465 6.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1061 6.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3657 6.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6253 6.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8848 6.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1445 6.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4040 6.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6636 6.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9232 6.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1828 6.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4424 6.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7020 6.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9615 6.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2212 6.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4808 6.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7403 6.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0455 7.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3052 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5647 7.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8243 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0839 7.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3435 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6031 7.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8627 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1222 7.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3819 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6415 7.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9010 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1607 7.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4203 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9956 9.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3236 9.6977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3792 9.9677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4290 9.7188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9378 10.5694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8822 10.2996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4430 10.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4949 9.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7134 9.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4098 10.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8325 10.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9553 10.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7378 10.0062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7934 10.2762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8432 10.0272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3520 10.8779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2964 10.6081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8572 10.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9092 9.8503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1277 10.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3409 11.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2467 10.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3695 11.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1455 9.3403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2011 9.6103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2509 9.3614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7597 10.2120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7041 9.9422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2650 10.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3169 9.1844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5354 9.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2317 9.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6544 10.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7772 10.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1839 8.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5121 8.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7561 8.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5532 8.6744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6088 8.9444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6586 8.6955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1674 9.5461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1119 9.2763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6727 9.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7246 8.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9431 8.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1564 10.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 9.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1849 9.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2077 8.5185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7811 7.7798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9560 7.9960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9292 7.7615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5623 8.5003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0143 8.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4025 7.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5245 7.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 7.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 8.2842 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 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 93 94 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 92101 1 0 0 0 0 87 92 1 0 0 0 0 M END > LMISSP0504AD03 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C70H128N2O27 > 1428.87 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260638 > - > - > Active (generated by computational methods) > - $$$$