Accord 08271317192D 116121 0 0 0 0 0 0 0 0999 V2000 23.3312 7.7420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6033 8.1610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8752 7.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7521 7.0139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9104 7.0139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0595 8.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1478 6.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1478 5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4199 7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9996 8.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1975 8.8635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6865 6.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9527 7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2190 6.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4852 7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7515 6.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1411 8.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4073 7.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6735 8.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9398 7.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2059 8.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4723 7.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7384 8.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0047 7.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7515 5.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0047 7.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2006 6.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3967 7.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5926 6.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7886 7.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9847 6.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9545 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1576 5.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3606 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5636 5.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7667 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9697 5.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1727 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3758 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5788 5.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7818 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9848 5.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1879 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3909 5.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5939 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 5.7076 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 24.0645 10.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3987 10.1515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4631 10.4190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5217 10.1724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0351 11.0152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9707 10.7478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5356 10.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5778 9.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8128 10.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5120 10.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9122 10.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0431 11.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8462 10.4571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9106 10.7247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9692 10.4780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4825 11.3208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4182 11.0535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9831 11.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0253 10.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2603 10.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4716 11.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3597 11.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4906 11.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2872 9.7974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3516 10.0650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4102 9.8183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9236 10.6611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8592 10.3937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4241 10.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4663 9.6430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7013 10.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4005 10.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8007 10.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9317 10.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3346 9.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6597 9.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9108 9.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7347 10.1031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7991 10.3706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8577 10.1240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3711 10.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3067 10.6994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8716 10.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 9.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 10.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3601 11.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2482 10.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3791 11.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3294 10.4164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5630 9.8167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2092 8.9101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2414 9.0117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0076 9.6116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5486 9.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9718 9.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 8.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7914 9.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3616 10.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5712 10.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8819 9.9059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8907 9.0609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0781 8.8291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3207 8.1113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4880 9.0606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0947 8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 9.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9277 8.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6049 7.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3007 9.2925 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 92 96 1 0 0 0 0 107108 1 1 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 107116 1 0 0 0 0 78107 1 0 0 0 0 M END > LMISSP0505CV07 > > Galalpha1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C80H144N2O32 > 1644.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261554 > - > - > Active (generated by computational methods) > - $$$$