Accord 08271317192D 122127 0 0 0 0 0 0 0 0999 V2000 24.3204 8.6738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6463 9.0618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9719 8.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7102 7.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9307 7.9996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9949 9.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2244 7.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2244 6.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5503 7.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0133 9.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2705 9.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8712 7.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1916 7.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5121 7.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8326 7.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1531 7.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4735 7.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7940 7.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1145 7.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4349 7.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7554 7.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0759 7.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0846 6.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7649 6.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7736 5.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0960 5.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4146 5.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7370 5.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0555 5.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3779 5.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6964 5.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0189 5.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3373 5.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6598 5.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9783 5.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2921 9.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6126 8.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9330 9.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2535 8.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5739 9.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8945 8.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2149 9.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5354 8.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8559 9.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1764 8.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4968 9.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8172 8.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1378 9.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4582 8.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3830 10.9070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5158 11.1549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6433 10.9263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1923 11.7074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0594 11.4597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6562 11.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6221 10.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9863 11.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7075 11.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9320 11.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1266 12.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0904 11.1902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2232 11.4382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3507 11.2096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8997 11.9907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7669 11.7429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3636 11.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3296 11.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6937 11.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8896 12.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6395 11.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8340 12.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7919 10.5788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9247 10.8268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0522 10.5982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6012 11.3793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4684 11.1315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0651 11.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0310 10.4357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3952 10.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1164 11.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3410 11.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5355 11.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9089 10.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2103 10.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5161 10.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4934 9.9674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6262 10.2153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7537 9.9867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3027 10.7678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1699 10.5200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7666 10.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7325 9.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0967 10.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2925 11.2759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0424 10.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2370 11.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1948 9.3559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3277 9.6039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4552 9.3753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0041 10.1564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8713 9.9086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4681 10.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4340 9.2128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 9.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5193 9.8765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7439 10.1371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9384 10.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3119 9.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6132 8.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9191 9.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9023 9.6392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0351 9.8871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1626 9.6586 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7116 10.4396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5788 10.1919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1755 10.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1414 9.4960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5056 9.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 10.9477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4514 10.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6459 10.7406 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 M END > LMISSP0504BR06 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C84H153N3O33 > 1732.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260953 > - > - > Active (generated by computational methods) > - $$$$