Accord 08271317182D 106110 0 0 0 0 0 0 0 0999 V2000 23.2551 7.2699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5191 7.6938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7828 7.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6806 6.5339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8296 6.5339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9915 7.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0585 6.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0585 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3225 6.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9198 8.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1088 8.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5809 6.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8389 6.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0970 6.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3550 6.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6132 6.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8712 6.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1293 6.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3873 6.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6454 6.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9034 6.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1614 6.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4195 6.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6775 6.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9356 6.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1936 6.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4517 6.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7098 6.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9679 6.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2259 6.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 6.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 6.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0406 7.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2986 7.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5566 7.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8147 7.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0727 7.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3308 7.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5888 7.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8469 7.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1049 7.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3630 7.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6210 7.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8791 7.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1372 7.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3952 7.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9968 9.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3233 9.7073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3768 9.9780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4245 9.7285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9322 10.5810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8787 10.3106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4385 10.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4928 9.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7073 9.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4030 10.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8311 10.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9520 10.9095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7295 10.0165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7830 10.2872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8306 10.0377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3384 10.8902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2849 10.6198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8447 10.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8990 9.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1135 10.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3273 11.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2373 10.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3582 11.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8092 12.1701 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8627 12.4407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9103 12.1912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4181 13.0438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3646 12.7733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9244 13.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9787 12.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1932 12.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4070 13.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3170 13.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4378 13.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3643 12.4870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5889 11.8804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2310 10.9633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2520 11.0660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0271 11.6729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5628 11.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0026 11.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6540 10.4961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7968 11.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3852 12.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5856 12.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6697 9.6153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7231 9.8860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7708 9.6365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2785 10.4890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2250 10.2186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7849 10.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8392 9.4591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0537 9.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2674 10.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1775 10.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2983 10.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7059 9.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0348 9.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2772 9.2513 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 2 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 78 82 1 0 0 0 0 93 94 1 1 0 0 0 95 94 1 1 0 0 0 96 95 1 1 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 97102 1 0 0 0 0 93102 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 104105 1 0 0 0 0 104106 2 0 0 0 0 89 93 1 0 0 0 0 M END > LMISSP0502AP07 > > GalNAcbeta1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C74H134N2O28 > 1498.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260290 > - > - > Active (generated by computational methods) > - $$$$