Accord 08271317182D 113118 0 0 0 0 0 0 0 0999 V2000 24.2420 7.2864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5000 7.7137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7576 7.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6709 6.5443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8130 6.5443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9844 7.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0356 6.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0356 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2936 6.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9039 8.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0863 8.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5460 6.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7980 6.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 6.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3020 6.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5539 6.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8059 6.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0579 6.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3099 6.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5619 6.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8139 6.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0659 6.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3179 6.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5699 6.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8219 6.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0738 6.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3258 6.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0093 7.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2612 7.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5132 7.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7652 7.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0172 7.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2692 7.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5212 7.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7732 7.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0252 7.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2772 7.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5292 7.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7812 7.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0332 7.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2852 7.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9893 10.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3106 9.7423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3568 10.0151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3971 9.7636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9011 10.6228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8549 10.3502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4113 10.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4737 9.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6745 9.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3679 10.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8146 10.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9287 10.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6892 10.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7354 10.3266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7757 10.0752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2796 10.9343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2335 10.6618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7899 10.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8523 9.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0531 10.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2685 11.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1932 10.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3073 11.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7464 12.2240 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7926 12.4967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8330 12.2453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3369 13.1044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2907 12.8319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8472 13.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9096 12.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1103 12.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3257 13.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2505 13.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3645 13.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1184 11.5515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1646 11.8242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2049 11.5728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7089 12.4319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6627 12.1594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2191 12.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2815 11.3940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4823 11.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6977 12.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6224 12.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7365 12.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1473 11.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4787 10.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7152 11.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0578 13.3894 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1040 13.6621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1444 13.4107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6483 14.2698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6021 13.9973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1586 14.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2210 13.2319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4217 13.6043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1151 13.9620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5619 14.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6759 14.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0867 13.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4181 12.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6546 13.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4247 12.7539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8555 13.4999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5914 12.9722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7632 12.7354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1938 13.4816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6403 13.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0057 14.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1556 12.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 12.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0272 13.2633 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 3 28 2 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 105104 1 1 0 0 0 104106 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 105113 1 0 0 0 0 97104 1 0 0 0 0 M END > LMISSP0502BH02 > > Fucalpha2-3GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O32 > 1603.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260429 > - > - > Active (generated by computational methods) > - $$$$