Accord 08271317182D 89 92 0 0 0 0 0 0 0 0999 V2000 18.7664 7.2644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0324 7.6872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2980 7.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1907 6.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3420 6.5303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5008 7.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5730 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5730 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8390 6.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4320 8.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6231 8.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0994 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3594 6.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6195 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8795 6.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1396 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3996 6.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6596 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9197 6.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1797 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4398 6.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6998 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9598 6.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2199 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4799 6.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 6.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5577 7.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8177 7.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0778 7.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3378 7.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5979 7.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8579 7.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1179 7.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3780 7.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6380 7.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8981 7.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1581 7.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4181 7.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6783 7.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9383 7.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5057 9.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8343 9.6940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8907 9.9638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9414 9.7150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4507 10.5649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3942 10.2953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9555 10.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0064 9.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2266 9.9066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9232 10.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3437 10.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4673 10.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2518 10.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3083 10.2720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3589 10.0233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8682 10.8731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8118 10.6035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3730 10.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4240 9.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6441 10.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8572 11.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7612 10.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8848 11.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3407 12.1489 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3972 12.4187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4479 12.1700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9571 13.0199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9007 12.7503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4619 13.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5129 11.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7330 12.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9461 13.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8501 12.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9737 13.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7518 11.4837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8082 11.7534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8589 11.5047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3682 12.3546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3117 12.0850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8729 12.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9239 11.3279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1440 11.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3571 12.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2611 12.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3847 12.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7911 11.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1189 10.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3637 11.1208 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 3 28 2 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 M END > LMISSP0502AB02 > > GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C62H114N2O23 > 1254.78 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260173 > - > - > Active (generated by computational methods) > - $$$$