Accord 08271317182D 103107 0 0 0 0 0 0 0 0999 V2000 21.7242 7.2642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9901 7.6869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2559 7.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1484 6.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2998 6.5303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4585 7.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5309 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5309 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7969 6.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3898 8.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5811 8.3952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0574 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3175 6.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5777 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8378 6.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0980 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3581 6.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6183 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8783 6.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1385 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3986 6.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6587 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9189 6.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1790 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4392 6.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6993 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9594 6.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2195 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4797 6.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7398 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5158 7.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7759 7.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0360 7.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2962 7.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5562 7.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8164 7.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0765 7.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3367 7.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5968 7.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8570 7.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1171 7.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3771 7.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6373 7.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8974 7.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4638 9.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7922 9.6948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8483 9.9647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8986 9.7159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4077 10.5661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3516 10.2964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9127 10.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9640 9.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1835 9.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8800 10.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3014 10.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4246 10.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2084 10.0032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2645 10.2730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3149 10.0242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8240 10.8744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7678 10.6047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3289 10.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3803 9.8473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5998 10.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8129 11.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7176 10.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8409 11.2019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6182 9.3376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6743 9.6075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7246 9.3587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2337 10.2089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1776 9.9392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7387 10.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7900 9.1818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0095 9.5504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7060 9.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1274 10.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2506 10.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6571 8.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9851 8.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2296 8.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0279 8.6721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0840 8.9420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1344 8.6932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6435 9.5434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5873 9.2737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1484 9.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1998 8.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4192 8.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 10.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5371 9.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6604 9.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6831 8.5163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2568 7.7780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4322 7.9941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4059 7.7598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0387 8.4981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4910 8.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8778 7.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0009 7.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4059 7.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8634 8.2822 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 2 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 94 95 1 1 0 0 0 95 96 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 94103 1 0 0 0 0 89 94 1 0 0 0 0 M END > LMISSP0504AD04 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C72H132N2O27 > 1456.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260639 > - > - > Active (generated by computational methods) > - $$$$