Accord 08271317192D 103107 0 0 0 0 0 0 0 0999 V2000 21.9491 7.7793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2102 8.2046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4712 7.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3762 7.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5219 7.0403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6882 8.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7479 6.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7479 5.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0091 7.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6124 8.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7984 8.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2648 6.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5200 7.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7753 6.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0305 7.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2859 6.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7261 8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9814 7.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2366 8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4919 7.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7470 8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0025 7.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2576 8.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5129 7.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2859 5.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5129 7.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6968 6.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8809 7.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0648 6.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2488 7.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4328 6.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4770 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6681 5.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8592 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0503 5.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2414 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4325 5.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6237 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8148 5.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0059 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 5.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6933 10.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0176 10.2249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0679 10.4964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1124 10.2461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6185 11.1014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5682 10.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1266 11.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1843 10.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3930 10.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0876 10.7950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5238 11.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6417 11.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4119 10.5351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4623 10.8066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5068 10.5563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0129 11.4116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9625 11.1403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5209 11.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5787 10.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7873 10.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0018 11.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9181 11.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0360 11.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7997 9.8655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8501 10.1370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8946 9.8867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4007 10.7420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3503 10.4707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9087 10.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9665 9.7087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1751 10.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8698 10.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3059 10.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4238 11.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8328 9.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1628 9.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4026 9.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1941 10.1757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2444 10.4472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2890 10.1969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7951 11.0523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7447 10.7809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3031 11.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3609 10.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5695 10.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7839 11.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7003 11.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8182 11.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7378 10.4937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9599 9.8850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6008 8.9649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6185 9.0680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3962 9.6769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9304 9.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3749 9.7274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0219 8.4962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.4584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7555 10.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9533 10.0895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4649 9.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 9.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2121 9.1488 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 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 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 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 M END > LMISSP0505CE02 > > GlcNAcalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C70H127N3O28 > 1457.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261421 > - > - > Active (generated by computational methods) > - $$$$