Accord 08271317192D 119124 0 0 0 0 0 0 0 0999 V2000 23.5808 7.7759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8430 8.2007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1049 7.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0074 7.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1542 7.0380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3190 8.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3813 6.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3813 5.7484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6434 7.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2447 8.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4316 8.9128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9001 6.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1563 7.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4126 6.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6688 7.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9251 6.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3609 8.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6171 7.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8733 8.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1296 7.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3857 8.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6421 7.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8983 8.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1545 7.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9251 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1545 7.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3395 6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5246 7.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7096 6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8947 7.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0798 6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1173 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3095 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5017 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6939 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8860 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0782 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2704 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4626 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6548 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8469 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0391 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2313 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4235 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6156 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8078 5.7139 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 24.3241 10.4778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6492 10.2183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7009 10.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7466 10.2395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2534 11.0937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2018 10.8227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7608 11.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8171 10.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0281 10.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7232 10.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1561 11.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2752 11.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0484 10.5281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1000 10.7993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1458 10.5493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6525 11.4035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6009 11.1325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1599 11.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2162 10.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4272 10.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6414 11.9591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5552 11.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6743 11.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4409 9.8594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4925 10.1306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5383 9.8806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0451 10.7348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9935 10.4638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5525 10.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6088 9.7028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8198 10.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5149 10.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9478 10.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0669 11.0639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4753 9.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8048 9.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0457 9.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8401 10.1692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8917 10.4404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9375 10.1904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4442 11.0446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3926 10.7736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9516 11.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0079 10.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2189 10.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4331 11.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3469 11.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4660 11.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2326 9.5005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2842 9.7717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3300 9.5217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8368 10.3759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7852 10.1049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3441 10.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4005 9.3439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6115 9.7142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8257 10.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7395 10.3548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8586 10.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2670 9.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5965 8.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8374 9.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4888 10.0126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4978 9.1561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6741 8.9212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9063 8.1936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0760 9.1558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6773 8.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9497 9.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5217 8.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1944 7.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8997 9.3908 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 91110 1 0 0 0 0 M END > LMISSP0505AF07 > > GalNAcbeta1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C82H147N3O32 > 1686.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261018 > - > - > Active (generated by computational methods) > - $$$$