Accord 08271317182D 111115 0 0 0 0 0 0 0 0999 V2000 22.8361 9.0186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0989 9.4431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3613 9.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2624 8.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4099 8.2813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5738 9.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6375 7.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6375 6.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9002 8.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5002 10.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6878 10.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1574 7.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4141 8.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6710 7.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9278 8.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1846 7.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4413 8.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6981 7.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9550 8.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2117 7.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4685 8.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7253 7.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7349 6.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4789 6.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4884 5.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7473 5.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0021 5.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2610 5.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5156 5.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7746 5.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0291 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2882 5.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5428 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8018 5.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0564 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6178 9.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8746 9.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1313 9.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3881 9.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6449 9.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9018 9.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1585 9.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4153 9.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6721 9.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9289 9.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1857 9.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4424 9.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6993 9.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9560 9.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5794 11.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9045 11.4611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9561 11.7323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0018 11.4823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5086 12.3366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4570 12.0656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0160 12.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0724 11.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2833 11.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9783 12.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4114 12.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5304 12.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3035 11.7709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3550 12.0421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4008 11.7921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9075 12.6464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8559 12.3754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4149 12.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4713 11.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6822 11.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8964 13.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8103 12.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9293 12.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6958 11.1022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7474 11.3734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7931 11.1234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2999 11.9777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2483 11.7067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8073 11.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8637 10.9456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0746 11.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7696 11.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2027 11.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3217 12.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7302 10.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0597 10.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3005 10.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0882 10.4335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1398 10.7047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1855 10.4547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6923 11.3089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6407 11.0379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1996 11.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2561 10.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4670 10.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6811 11.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5951 11.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7141 11.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4806 9.7647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5322 10.0359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5779 9.7859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0846 10.6402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0331 10.3692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5920 10.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6485 9.6082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8593 9.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9874 10.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1065 10.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5149 9.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8445 9.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0853 9.4000 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 2 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 3 36 2 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 80 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 M END > LMSP0504AJ08 > > GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C78H141N3O28 > 1567.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260691 > - > - > Active (generated by computational methods) > - $$$$