Accord 08271317192D 130136 0 0 0 0 0 0 0 0999 V2000 24.2857 7.6675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5766 8.0757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8673 7.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6957 6.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8757 6.9583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1329 6.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1329 5.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4238 6.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9626 8.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1813 8.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7094 6.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9946 6.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2798 6.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5650 6.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8503 6.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1522 8.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4374 7.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7226 8.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0078 7.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2929 8.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5783 7.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8634 8.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1486 7.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8503 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1486 6.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3653 6.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5822 6.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7989 6.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0157 6.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2326 6.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0739 5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2976 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5212 5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7448 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9685 5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1921 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4157 5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6394 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8630 5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0867 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3103 5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5339 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7576 5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9812 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2049 5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4285 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3515 10.0147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4400 10.2754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5229 10.0351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0489 10.8561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9604 10.5956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5365 10.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5517 9.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8324 10.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5394 10.5619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8775 10.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0309 11.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8908 10.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9793 10.5731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0623 10.3328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5883 11.1538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4997 10.8934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0759 11.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0911 10.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3717 10.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5776 11.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4169 11.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5703 11.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4239 9.6698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5124 9.9304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5954 9.6902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1213 10.5111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0328 10.2507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6089 10.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6242 9.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9048 9.8753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6118 10.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9499 10.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1033 10.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4958 9.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8125 9.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0830 9.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9632 9.9676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0518 10.2282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1347 9.9879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6607 10.8089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5721 10.5485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1483 10.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1635 9.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4442 10.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6500 11.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4893 10.7886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6427 11.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6460 10.2728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8993 9.6886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5547 8.8055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6119 8.9044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3583 9.4888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9112 9.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 9.5373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9990 8.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2786 9.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7032 10.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9332 9.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3840 9.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7537 9.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1414 8.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0512 7.5075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1397 7.7681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2227 7.5278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7486 8.3488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6601 8.0884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2362 8.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2515 7.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 7.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7379 8.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5772 8.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7306 8.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6646 9.8171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6732 8.9939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8816 8.7681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1437 8.0689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3068 8.9936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9236 8.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1075 9.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7351 8.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4206 7.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0984 9.2195 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 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 112111 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 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 103110 1 0 0 0 0 121122 1 1 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 91121 1 0 0 0 0 M END > LMISSP0505AH05 > > Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C88H159N3O37 > 1850.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261032 > - > - > Active (generated by computational methods) > - $$$$