Accord 08271317182D 73 75 0 0 0 0 0 0 0 0999 V2000 17.0309 7.2225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3121 7.6364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5930 7.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4464 6.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6153 6.5037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7500 7.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8623 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8623 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1435 6.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7034 8.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9114 8.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4194 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6948 6.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9702 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2457 6.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5211 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7965 6.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0720 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3474 6.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6228 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8983 6.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1737 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4491 6.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8681 7.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1435 7.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4190 7.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6944 7.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9699 7.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2453 7.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5207 7.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7962 7.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0716 7.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3470 7.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6225 7.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8979 7.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1734 7.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4489 7.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7547 9.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0973 9.6015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1734 9.8656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2439 9.6221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7633 10.4543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6872 10.1903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2576 10.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2867 9.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5439 9.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2468 10.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6169 10.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7588 10.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5894 9.9033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6655 10.1674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7359 9.9239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2554 10.7561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1793 10.4921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7497 10.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7788 9.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0359 10.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2446 11.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 10.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2508 11.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7389 12.0054 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8150 12.2695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8854 12.0260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4049 12.8582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3288 12.5942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8991 12.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 11.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1854 12.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3941 13.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2585 12.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4003 13.1788 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 3 26 2 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 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 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 60 63 1 0 0 0 0 M END > LMISSP0502AA01 > > Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C52H97NO18 > 1023.67 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260164 > - > - > Active (generated by computational methods) > - $$$$