Accord 08271317182D 91 94 0 0 0 0 0 0 0 0999 V2000 20.2327 7.2627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4992 7.6850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7656 7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6566 6.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8087 6.5293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9664 7.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0404 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0404 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3069 6.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8985 8.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0905 8.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5680 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8287 6.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0895 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3502 6.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6108 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8715 6.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1323 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3930 6.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6536 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9143 6.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1751 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 6.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6964 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9571 6.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2179 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4785 6.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0260 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2867 7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5474 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8081 7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0688 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3295 7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5902 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8509 7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1116 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3723 7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6330 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8937 7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1545 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4151 7.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9716 9.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3006 9.6910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3576 9.9606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4088 9.7121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9184 10.5614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8614 10.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4229 10.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4732 9.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6944 9.9035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3912 10.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8103 10.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9344 10.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7202 9.9990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7772 10.2687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8284 10.0201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3380 10.8695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2810 10.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8425 10.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8928 9.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1140 10.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3270 11.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2299 10.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3540 11.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8108 12.1445 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8678 12.4142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9190 12.1656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4286 13.0150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3716 12.7455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9331 12.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9834 11.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2046 12.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4175 13.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3205 12.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4446 13.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 11.4796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2809 11.7493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3321 11.5007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8417 12.3501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7847 12.0806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3462 12.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3965 11.3240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6177 11.6922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8306 12.7684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7336 12.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8577 12.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2638 11.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5914 10.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8366 11.1170 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 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 74 78 1 0 0 0 0 M END > LMISSP0502AB03 > > GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C64H118N2O23 > 1282.81 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260174 > - > - > Active (generated by computational methods) > - $$$$