Accord 08271317182D 87 90 0 0 0 0 0 0 0 0999 V2000 18.7546 7.2492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0261 7.6688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2972 7.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1758 6.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3334 6.5207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4835 7.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5702 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5702 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8417 6.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4227 8.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6199 8.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1077 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3733 6.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6389 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9045 6.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1701 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4357 6.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7013 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9669 6.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2325 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4981 6.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7637 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0293 6.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2949 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5606 6.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5625 7.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8281 7.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0937 7.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3593 7.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6250 7.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8906 7.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1562 7.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4218 7.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6874 7.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9530 7.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2186 7.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4842 7.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7499 7.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0155 7.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4883 9.9168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8220 9.6605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8855 9.9283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9434 9.6814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4563 10.5249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3928 10.2574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9573 10.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0004 9.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2339 9.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9328 10.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3351 10.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4653 10.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2665 9.9664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3300 10.2342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3878 9.9873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9008 10.8308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8373 10.5633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4018 10.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4448 9.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6784 10.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8898 11.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7795 10.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9097 11.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7045 9.3061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7681 9.5739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8259 9.3271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3388 10.1705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2753 9.9030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8398 10.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8829 9.1516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1164 9.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8153 9.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2176 10.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3478 10.4955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7510 8.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0764 8.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3268 8.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1425 8.6459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2061 8.9136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2639 8.6668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7769 9.5103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7133 9.2427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2778 9.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3209 8.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7659 10.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6556 9.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7858 9.8352 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 3 26 2 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 70 77 1 0 0 0 0 M END > LMSP0504AB01 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C60H110N2O23 > 1226.75 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260620 > - > - > Active (generated by computational methods) > - $$$$