Accord 08271317192D 119124 0 0 0 0 0 0 0 0999 V2000 23.4888 7.7634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7546 8.1860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0202 7.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9133 7.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0643 7.0291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2233 8.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2952 6.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2952 5.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5610 7.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1543 8.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3453 8.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8213 6.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0813 7.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3412 6.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6011 7.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8611 6.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2798 8.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5397 7.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7996 8.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0596 7.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3194 8.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5795 7.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8393 8.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0992 7.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8611 5.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0992 7.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2883 6.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4774 7.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6665 6.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8556 7.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0447 6.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0573 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2535 5.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4497 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6458 5.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8420 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0382 5.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2344 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4306 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6267 5.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8229 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0191 5.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2153 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4115 5.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6076 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8038 5.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2283 10.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5569 10.1937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6132 10.4635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6637 10.2147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1729 11.0647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1166 10.7951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6777 11.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7289 10.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9487 10.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6453 10.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0662 11.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1896 11.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9738 10.5019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0301 10.7718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0806 10.5230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5898 11.3730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5335 11.1034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0947 11.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1458 10.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3657 10.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5788 11.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4831 11.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6066 11.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3843 9.8365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4406 10.1064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4911 9.8576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0003 10.7076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9440 10.4380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5051 10.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5563 9.6807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7761 10.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4727 10.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8936 10.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0170 11.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4234 9.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7513 9.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9959 9.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8012 10.1448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8575 10.4146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9080 10.1659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4172 11.0159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3609 10.7462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9221 10.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9732 9.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1931 10.3575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4062 11.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3105 10.9949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4340 11.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2117 9.4794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2680 9.7492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3185 9.5005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8277 10.3505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7714 10.0809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3325 10.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3837 9.3236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6035 9.6921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3001 10.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7210 10.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8444 10.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2508 9.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5787 8.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8233 9.1165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9497 9.9459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9585 9.0937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1389 8.8599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3750 8.1359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5438 9.0934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1471 8.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4082 9.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9873 8.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6617 7.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3634 9.3272 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 2 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 111112 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 110119 1 0 0 0 0 78110 1 0 0 0 0 M END > LMISSP0505CG07 > > GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C82H147N3O32 > 1686.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261442 > - > - > Active (generated by computational methods) > - $$$$