Accord 08271317192D 126132 0 0 0 0 0 0 0 0999 V2000 24.3204 7.0779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6458 7.4663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9710 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7103 6.4033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9305 6.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2238 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2238 5.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5492 6.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0131 8.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2698 8.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8696 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1896 6.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5097 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8297 6.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1497 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4698 6.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7899 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1099 6.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4299 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7499 6.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0700 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3900 6.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7100 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0300 6.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3501 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6701 6.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9902 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3103 6.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2908 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6109 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9309 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2509 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5709 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8910 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2110 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5310 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8510 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1712 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4912 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8112 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1313 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4513 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3829 9.3113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5156 9.5593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6429 9.3306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1918 10.1118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0592 9.8640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6558 10.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6219 9.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9858 9.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7070 9.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9319 10.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1263 10.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0898 9.5946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2225 9.8426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3499 9.6140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8988 10.3952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7661 10.1474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3628 10.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3288 9.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6928 9.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8886 10.9033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6388 10.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8332 10.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7908 8.9831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9235 9.2310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0509 9.0024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5998 9.7836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4671 9.5358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0638 9.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0298 8.8399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3938 9.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1149 9.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3398 9.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5342 10.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9077 8.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2091 8.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5149 8.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4918 8.3715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6245 8.6195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7518 8.3909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3008 9.1721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1681 8.9243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7648 9.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7308 8.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0947 8.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2906 9.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0408 9.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2352 9.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1928 7.7600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3255 8.0080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4528 7.7794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0017 8.5606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8691 8.3127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4657 8.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4318 7.6168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7957 7.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5169 8.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7418 8.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9362 8.8615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3097 7.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6110 7.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9168 7.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8997 8.0433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0324 8.2913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1598 8.0627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7087 8.8439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5760 8.5961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1727 8.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1388 7.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5027 8.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6985 9.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4487 8.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6431 9.1448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6402 9.9784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9576 9.5939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4065 10.1506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4852 10.4452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3311 10.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8292 10.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5267 9.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8637 10.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2218 9.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8823 10.1767 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 16 17 1 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 24 25 1 0 0 0 0 25 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 3 30 2 0 0 0 0 30 31 1 0 0 0 0 31 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 75117 1 0 0 0 0 M END > LMISSP0504BD03 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C84H151N3O37 > 1794.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260846 > - > - > Active (generated by computational methods) > - $$$$