Accord 08271317182D 117122 0 0 0 0 0 0 0 0999 V2000 24.2921 7.1662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5899 7.5705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8875 7.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6980 6.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8862 6.4641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9946 7.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1505 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1505 5.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4484 6.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9722 8.2326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1985 8.2481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7410 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0332 6.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3255 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6177 6.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9099 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2021 6.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4943 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7866 6.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0787 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3710 6.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6632 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9555 6.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2476 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5399 6.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8321 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1244 6.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4166 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7087 6.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2932 6.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5855 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8776 6.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1795 7.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4717 7.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7638 7.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0561 7.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3483 7.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6406 7.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9327 7.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2250 7.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5172 7.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8095 7.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1017 7.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3938 7.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6861 7.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9783 7.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3572 9.4925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4539 9.7508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5451 9.5127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0753 10.3263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9786 10.0682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5585 10.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5647 9.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8607 9.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5703 10.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8875 10.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0485 10.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9275 9.7876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0242 10.0459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1153 9.8078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6455 10.6214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5488 10.3633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1288 10.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1349 9.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4309 9.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6349 11.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4578 10.6013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6187 10.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1405 11.8428 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.2372 12.1011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3283 11.8630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8585 12.6766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7618 12.4185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3418 12.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3479 11.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6439 12.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8479 13.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6708 12.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8318 12.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7045 11.2059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8012 11.4642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8924 11.2261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4225 12.0397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3259 11.7816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9058 12.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9120 11.0568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2080 11.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4120 12.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2348 12.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3958 12.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7848 10.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0987 10.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3756 10.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2685 10.5690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3652 10.8273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4564 10.5892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9866 11.4028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8899 11.1447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4698 11.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4760 10.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7720 10.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9760 11.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7988 11.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9598 11.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9809 10.8715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2409 10.2925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8994 9.4173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9650 9.5154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7048 10.0945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2617 9.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6357 10.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3487 8.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5306 9.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 10.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2834 10.4870 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 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 89 96 1 0 0 0 0 107108 1 1 0 0 0 109108 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 107116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 112117 1 0 0 0 0 103107 1 0 0 0 0 M END > LMISSP0502BF05 > > Galalpha1-3Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C80H146N2O33 > 1662.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260416 > - > - > Active (generated by computational methods) > - $$$$