Accord 08271317192D 87 90 0 0 0 0 0 0 0 0999 V2000 17.9327 7.7294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2084 8.1463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4839 7.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3514 7.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5139 7.0051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6572 8.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7552 6.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7552 5.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0309 6.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6027 8.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8046 8.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3012 6.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5711 6.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8411 6.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1110 6.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3810 6.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7535 8.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0234 7.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2933 8.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5632 7.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8331 8.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1032 7.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3730 8.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6429 7.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3810 5.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6429 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8429 6.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0430 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2430 6.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4430 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6431 6.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7950 5.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2091 5.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4162 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6232 5.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8302 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0373 5.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6622 10.3817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9998 10.1269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0689 10.3931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1322 10.1477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6480 10.9862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5790 10.7202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1461 10.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1830 9.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4269 10.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1276 10.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5157 10.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6510 11.3092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4652 10.4310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5342 10.6972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5975 10.4518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1134 11.2903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0443 11.0243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6114 11.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6483 10.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8922 10.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1025 11.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9811 11.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1164 11.6133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0769 10.7427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3143 10.1460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9623 9.2440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9994 9.3451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7618 9.9420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3051 9.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7212 9.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3948 8.7845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5517 9.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1140 10.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3275 10.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4266 7.9183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4957 8.1845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5590 7.9391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0749 8.7776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0058 8.5116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5729 8.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6098 7.7646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8537 8.1281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9426 8.7569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0779 9.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4788 7.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 7.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0571 7.5603 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 59 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 1 0 0 0 0 M END > LMISSP0505DC01 > > GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C60H110N2O23 > 1226.75 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261588 > - > - > Active (generated by computational methods) > - $$$$