Accord 08271317182D 140147 0 0 0 0 0 0 0 0999 V2000 24.3402 8.5580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6857 8.9347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0310 8.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7186 7.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9618 7.9034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 8.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2761 7.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2761 6.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6217 7.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0420 9.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3208 9.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9623 7.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3025 7.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6428 7.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9831 7.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3233 7.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6635 7.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0038 7.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3441 7.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6843 7.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0245 7.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3648 7.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3733 6.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0338 6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0422 5.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3844 5.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7228 5.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0649 5.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4033 5.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7455 5.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0837 5.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4260 5.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7643 5.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3710 8.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7113 8.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0514 8.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 8.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7319 8.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0723 8.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 8.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7527 8.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0930 8.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4333 8.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7735 8.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1137 8.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4540 8.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7942 8.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4009 10.7262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5590 10.9669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7119 10.7450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2740 11.5033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1160 11.2627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7244 11.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6622 10.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0740 10.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 11.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9631 11.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 11.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2043 11.0012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3623 11.2419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5152 11.0200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0773 11.7783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9193 11.5378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5278 11.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4655 10.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8773 11.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0675 12.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7665 11.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9844 12.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0018 10.4075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1598 10.6483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3127 10.4263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8749 11.1847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7168 10.9441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3253 11.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2631 10.2686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6749 10.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4042 10.9130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5640 11.1660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7820 11.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1445 10.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4371 9.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7632 10.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7993 9.8139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9574 10.0546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1103 9.8327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6724 10.5910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5143 10.3505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1228 10.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0606 9.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4724 10.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6625 11.0843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3615 10.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5795 10.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5968 9.2203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7549 9.4610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9078 9.2391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4699 9.9974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3118 9.7569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9203 9.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8581 9.0813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2699 9.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9992 9.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1590 9.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3770 10.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7396 8.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0321 8.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3582 8.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4001 9.4953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5582 9.7360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7111 9.5141 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2732 10.2724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1152 10.0319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7237 10.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6614 9.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0732 9.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2634 10.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9624 10.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1803 10.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2006 9.3563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8203 8.6978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0848 8.8905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1694 8.6815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7338 9.3401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2452 9.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3743 8.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7001 8.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1694 8.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4695 9.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5326 9.3179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5405 8.5575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8093 8.3489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1277 7.7030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2783 8.5572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9244 8.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 8.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 7.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3835 7.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0095 8.7659 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 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 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 104110 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 116121 1 0 0 0 0 131132 1 1 0 0 0 132133 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 131140 1 0 0 0 0 103131 1 0 0 0 0 M END > LMISSP0504AW05 > > Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C94H169N3O41 > 1996.12 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260792 > - > - > Active (generated by computational methods) > - $$$$