Accord 08271317192D 132138 0 0 0 0 0 0 0 0999 V2000 24.3203 7.5395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6456 7.9279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9706 7.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7104 6.8646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9302 6.8646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2233 6.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2233 5.6854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5486 6.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0129 8.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2694 8.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8688 6.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1886 6.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5085 6.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8283 6.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1482 6.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2902 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6100 7.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9298 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2497 7.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5694 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8894 7.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2092 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5290 7.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1482 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5290 6.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7837 6.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0385 6.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2932 6.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5479 6.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8027 6.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4095 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6708 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9320 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1933 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4545 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7158 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9770 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2383 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4995 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7608 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0221 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2833 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5446 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8058 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0671 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3283 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5896 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8508 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3829 9.7730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5156 10.0210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6430 9.7924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1919 10.5735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0592 10.3257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6559 10.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6219 9.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9859 9.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7070 10.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9319 10.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1263 10.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0899 10.0563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2226 10.3043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3500 10.0757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8989 10.8568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7662 10.6090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3629 10.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3289 9.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6929 10.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8888 11.3650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6389 10.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8333 11.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7910 9.4448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9237 9.6928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0510 9.4641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6000 10.2453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4673 9.9975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0640 10.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0300 9.3016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3939 9.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1151 9.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3400 10.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5344 10.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9079 9.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2092 8.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5150 9.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4980 9.7281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6307 9.9761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7581 9.7474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3070 10.5286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1743 10.2808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7710 10.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7370 9.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1010 9.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2968 11.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0470 10.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2414 10.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1990 9.1166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3317 9.3645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4591 9.1359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0080 9.9171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8753 9.6693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4720 9.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4381 8.9734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8020 9.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 9.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7481 9.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9425 10.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3160 8.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6173 8.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9231 8.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9061 9.3999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0388 9.6479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1661 9.4192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7151 10.2004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5824 9.9526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1791 10.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1451 9.2567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5091 9.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7049 10.7085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 10.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6495 10.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6344 9.5453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6426 8.7620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8893 8.5472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1872 7.8818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3423 8.7618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9778 8.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0559 9.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7499 8.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4507 7.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0956 8.9767 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 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 80123 1 0 0 0 0 M END > LMSP0505AV06 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C90H163N3O37 > 1878.10 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261145 > - > - > Active (generated by computational methods) > - $$$$