Accord 08271317192D 131137 0 0 0 0 0 0 0 0999 V2000 24.4118 7.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8279 7.5335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2438 7.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7494 6.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0742 6.6134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4625 6.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4625 5.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8786 6.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1458 8.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5024 8.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2904 6.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7018 6.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1132 6.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5246 6.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9361 6.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6550 7.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0664 7.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4778 7.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8892 7.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3006 7.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7121 7.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1235 7.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5349 7.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9361 5.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5349 6.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8899 6.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2450 6.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6001 6.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9551 6.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3103 6.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2968 5.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6575 5.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0182 5.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3790 5.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7397 5.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1004 5.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4611 5.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8218 5.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1826 5.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5433 5.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9040 5.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2647 5.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6254 5.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9861 5.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3469 5.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7076 5.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4660 9.1302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7154 9.3448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9603 9.1470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5700 9.8230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3205 9.6085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9715 9.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8075 9.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3917 9.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1504 9.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0757 9.8063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3786 10.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6163 9.3754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8658 9.5900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1107 9.3921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7203 10.0681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4709 9.8537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1219 10.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9578 9.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5421 9.5445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7116 10.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2261 10.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5290 10.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7615 8.8462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0110 9.0608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2559 8.8629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8656 9.5389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6161 9.3245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2671 9.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1030 8.7223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6873 9.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4460 9.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3713 9.5223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6742 9.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9974 8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2582 8.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6574 8.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9119 9.0913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1614 9.3059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4063 9.1081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0159 9.7841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7665 9.5697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4174 9.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2534 8.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8376 9.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0071 10.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5217 9.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8245 10.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0571 8.5621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3066 8.7767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5515 8.5789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1611 9.2549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9117 9.0405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5626 9.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3986 8.4383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9828 8.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7415 9.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6669 9.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9697 9.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2930 8.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5537 8.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9530 8.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2075 8.8073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4570 9.0219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7019 8.8241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3115 9.5001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0620 9.2856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7130 9.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5490 8.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1332 8.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3027 9.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8173 9.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1201 9.7605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4760 9.0586 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8612 8.5776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5774 7.8504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8010 7.9319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4157 8.4131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0475 8.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1891 8.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1198 7.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4401 8.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6996 9.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0656 8.7392 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 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 79 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 123122 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 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 117121 1 0 0 0 0 M END > LMISSP0505BL05 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C88H159N3O38 > 1866.06 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261272 > - > - > Active (generated by computational methods) > - $$$$