Accord 08271317192D 116121 0 0 0 0 0 0 0 0999 V2000 23.3890 7.7498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6588 8.1702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9283 7.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8112 7.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9668 7.0195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1195 8.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2019 6.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2019 5.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4716 7.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0563 8.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2517 8.8749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7360 6.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9999 7.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2638 6.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5277 7.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7917 6.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1919 8.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4559 7.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7198 8.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9837 7.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2475 8.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5116 7.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7754 8.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0393 7.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7917 5.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0393 7.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2328 6.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4263 7.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6197 6.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8132 7.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0067 6.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9922 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1927 5.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3933 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5938 5.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7943 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9948 5.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1953 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3959 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5964 5.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7969 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9974 5.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1979 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3984 5.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7995 5.7090 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 24.1246 10.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4567 10.1670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5181 10.4353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5738 10.1879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0856 11.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0242 10.7652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5877 11.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6332 10.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8626 10.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5609 10.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9687 11.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0968 11.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8930 10.4736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9544 10.7419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0100 10.4945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5219 11.3399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4605 11.0718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0240 11.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0695 10.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2989 10.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5109 11.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4050 11.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5331 11.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3228 9.8118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3842 10.0801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4399 9.8327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9517 10.6781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8903 10.4100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4538 10.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4993 9.6568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7287 10.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4270 10.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8348 10.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9630 11.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3672 9.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6933 9.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9420 9.4508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7591 10.1184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8205 10.3867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8762 10.1393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3880 10.9847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3266 10.7166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8901 10.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9356 9.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1650 10.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3770 11.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 10.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3992 11.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3431 10.4327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5742 9.8311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2193 8.9217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2484 9.0236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0171 9.6254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5567 9.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9844 9.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6471 8.4584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7971 9.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 10.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5793 10.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4218 9.9634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4307 9.1158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6155 8.8832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8557 8.1632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0236 9.1154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6290 8.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8779 9.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4647 8.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1408 7.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8388 9.3481 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 91107 1 0 0 0 0 M END > LMISSP0505AE07 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C80H144N2O32 > 1644.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261010 > - > - > Active (generated by computational methods) > - $$$$