Accord 08271317182D 82 84 0 0 0 0 0 0 0 0999 V2000 21.5866 7.2476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8587 7.6669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1305 7.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0074 6.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1658 6.5197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3149 7.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4031 6.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4031 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6753 6.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2550 8.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4530 8.3693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9418 6.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2080 6.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4743 6.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7405 6.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0067 6.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2729 6.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5392 6.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8053 6.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0716 6.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3378 6.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6040 6.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8702 6.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1364 6.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4027 6.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6688 6.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9351 6.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2013 6.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4676 6.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7337 6.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3964 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6626 7.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9288 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1950 7.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4612 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7275 7.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9937 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2599 7.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5261 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7924 7.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0585 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3247 7.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5910 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8572 7.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3202 9.9145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6541 9.6583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7180 9.9259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7761 9.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2892 10.5223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2254 10.2549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7900 10.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8327 9.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0669 9.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7659 10.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1673 10.5015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2978 10.8472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0998 9.9641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1637 10.2317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2218 9.9850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7350 10.8281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6711 10.5607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2358 10.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2785 9.8095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5126 10.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7240 11.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6130 10.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7435 11.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5391 9.3040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6030 9.5717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6611 9.3249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1742 10.1681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1103 9.9006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6750 10.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7177 9.1495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9519 9.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6509 9.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0523 10.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1828 10.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5859 8.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9112 8.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1619 8.9440 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 3 32 2 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 M END > LMISSP0504AA04 > > GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C60H112N2O18 > 1148.79 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260615 > - > - > Active (generated by computational methods) > - $$$$