Accord 08271317192D 87 90 0 0 0 0 0 0 0 0999 V2000 18.9985 7.7113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2795 8.1252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5603 7.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4141 6.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5829 6.9923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7179 8.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8297 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8297 5.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1106 6.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6709 8.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8787 8.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3863 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6615 6.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9368 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2120 6.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4874 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8353 8.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1105 7.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3858 8.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6609 7.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9362 8.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2115 7.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4868 8.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 7.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4874 5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9678 6.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1738 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3796 6.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5854 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7914 6.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7002 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9130 5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1258 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3386 5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5516 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7643 5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9771 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1899 5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7227 10.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0651 10.0913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1411 10.3554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2112 10.1119 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7306 10.9444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6547 10.6803 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.2250 10.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2543 9.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5110 10.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2139 10.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5847 10.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7262 11.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5563 10.3931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6322 10.6574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7023 10.4138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2218 11.2462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1458 10.9822 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.7161 11.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7455 10.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0021 10.6014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2109 11.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0758 11.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2173 11.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0410 9.7415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1169 10.0058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1871 9.7622 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7065 10.5946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6306 10.3305 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2009 10.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2302 9.5889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4869 9.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8351 10.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5605 10.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7021 10.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1001 9.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4213 9.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6815 9.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1085 9.7532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1844 10.0175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2546 9.7739 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7738 10.6063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6981 10.3422 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2684 10.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0911 9.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7632 11.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6280 10.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7696 10.9270 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 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 71 77 1 0 0 0 0 M END > LMSP0505AA01 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C60H110N2O23 > 1226.75 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 70699265 > - > - > Active (generated by computational methods) > - 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