Accord 08271317182D 119124 0 0 0 0 0 0 0 0999 V2000 22.9089 9.0268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1686 9.4530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4279 9.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3370 8.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4809 8.2863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6497 9.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7052 7.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7052 6.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9649 8.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5717 10.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7558 10.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2190 7.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4725 8.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7262 7.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9799 8.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2336 7.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4872 8.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7409 7.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9946 8.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2481 7.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5018 8.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7555 7.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7651 6.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5123 6.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5219 5.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7776 5.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0292 5.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2850 5.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5365 5.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7924 5.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0438 5.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5511 5.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6813 9.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9350 9.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1885 9.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4422 9.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6958 9.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9496 9.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2032 9.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4569 9.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7106 9.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9642 9.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2178 9.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4714 9.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7252 9.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9788 9.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6554 11.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9777 11.4796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0252 11.7519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0669 11.5009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5716 12.3587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5240 12.0866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0811 12.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1420 11.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3453 11.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0391 12.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4824 12.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5977 12.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3614 11.7907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4090 12.0631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4507 11.8120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9553 12.6699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9078 12.3977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4649 12.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5257 11.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7291 12.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9442 13.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8662 12.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9815 13.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7386 11.1192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7861 11.3915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8279 11.1404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3325 11.9983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2850 11.7262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8420 11.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9029 10.9619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1063 11.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8000 11.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2433 11.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3587 12.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7688 10.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0998 10.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3374 10.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1158 10.4476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1633 10.7199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2050 10.4689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7097 11.3268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6621 11.0546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2192 11.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2801 10.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4834 10.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6985 11.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6205 11.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7358 11.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4929 9.7761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5405 10.0484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5822 9.7973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0869 10.6552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0393 10.3831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5964 10.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6573 9.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8606 9.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9977 10.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 10.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5232 9.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8541 9.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0918 9.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2787 12.2123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5292 11.7900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9239 12.4013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9123 12.7248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8411 13.0411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2900 13.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1541 11.6157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3279 12.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6229 12.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4465 12.4300 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 2 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 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 78 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 111112 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 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 110119 1 0 0 0 0 79110 1 0 0 0 0 M END > LMISSP0504AR07 > > GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C82H147N3O32 > 1686.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260754 > - > - > Active (generated by computational methods) > - $$$$