Accord 08271317192D 98102 0 0 0 0 0 0 0 0999 V2000 22.1928 7.2587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4608 7.6802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7285 7.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6159 6.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7696 6.5267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9250 7.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0028 6.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0028 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2708 6.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8593 8.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0527 8.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5333 6.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7955 6.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0577 6.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3198 6.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5820 6.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8441 6.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1063 6.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3684 6.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6306 6.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8927 6.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1549 6.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4170 6.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6792 6.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9413 6.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9903 7.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2525 7.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5146 7.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7768 7.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0389 7.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3011 7.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5632 7.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8254 7.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0875 7.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3497 7.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6119 7.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8740 7.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1363 7.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 7.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9299 9.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2604 9.6813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3196 9.9503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3730 9.7023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8836 10.5497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8245 10.2809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3870 10.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4349 9.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6601 9.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3576 10.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7712 10.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8973 10.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6882 9.9886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7473 10.2576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8007 10.0096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3114 10.8571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2522 10.5882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8147 10.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8627 9.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0879 10.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3004 11.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1990 10.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3251 11.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1095 9.3252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1686 9.5943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2220 9.3462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7327 10.1937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6735 9.9249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2360 10.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2840 9.1699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5092 9.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2067 9.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6202 10.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7463 10.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1515 8.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4784 8.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7253 8.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5307 8.6619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5899 8.9309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6433 8.6829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1539 9.5303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0948 9.2615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6573 9.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7052 8.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9304 8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1429 10.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 9.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1676 9.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1065 8.9769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3358 8.3739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9800 7.4623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0069 7.5645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7773 8.1677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3158 7.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7469 8.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4065 6.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.8796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 9.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3385 8.5765 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 3 26 2 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 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 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 70 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 M END > LMISSP0504BU01 > > Galalpha1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C66H120N2O28 > 1388.80 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260964 > - > - > Active (generated by computational methods) > - $$$$