Accord 08271317192D 100104 0 0 0 0 0 0 0 0999 V2000 21.1706 7.7288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4465 8.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7222 7.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5892 7.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7519 7.0046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8950 8.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9934 6.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9934 5.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2693 6.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8407 8.8285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0428 8.8445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5398 6.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8099 6.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0800 6.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3501 6.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6203 6.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9920 8.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2621 7.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5322 8.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8022 7.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0722 8.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3425 7.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6125 8.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8826 7.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6203 5.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8826 7.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0828 6.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2831 7.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4833 6.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6835 7.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8838 6.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8275 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0347 5.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2420 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4492 5.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6564 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8637 5.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0709 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2781 5.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4853 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6926 5.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9000 10.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2377 10.1257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3070 10.3918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3706 10.1465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8865 10.9848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8172 10.7189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3844 10.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4211 9.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6654 10.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3662 10.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7538 10.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8893 11.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7039 10.4297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7732 10.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8368 10.4505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3527 11.2888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2834 11.0229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8506 11.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8873 10.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1316 10.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3418 11.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2200 11.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3555 11.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3165 10.7414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5541 10.1448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2022 9.2430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2395 9.3441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0017 9.9409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5452 9.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9609 9.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6348 8.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7919 9.6559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3538 10.8426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5676 10.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6669 7.9176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7362 8.1837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7998 7.9384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3157 8.7767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2464 8.5108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8136 8.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8503 7.7640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0946 8.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3048 9.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1830 8.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3185 9.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7193 7.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0427 7.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2977 7.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1267 7.2614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1960 7.5275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2595 7.2822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7755 8.1205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7062 7.8545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2734 8.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3101 7.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7646 8.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6427 8.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7782 8.4434 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 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 61 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 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 83 90 1 0 0 0 0 M END > LMISSP0505DB02 > > Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C68H124N2O28 > 1416.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261581 > - > - > Active (generated by computational methods) > - $$$$