Accord 08271317182D 121126 0 0 0 0 0 0 0 0999 V2000 22.4414 9.0693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6943 9.4994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9468 9.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8735 8.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0095 8.3220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1890 9.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2267 7.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2267 7.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4795 8.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1011 10.2041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2777 10.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7268 7.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9735 8.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2203 7.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 8.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7140 7.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9607 8.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2076 7.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4544 8.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7011 7.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9480 8.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1948 7.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2045 7.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9585 6.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9682 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2171 5.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4619 5.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7108 5.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9554 5.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2045 5.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4490 5.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6981 5.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9427 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 5.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4363 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1933 9.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4402 9.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6869 9.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9337 9.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1805 9.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4274 9.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6741 9.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9210 9.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1678 9.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4146 9.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6614 9.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9081 9.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1550 9.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4018 9.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1947 11.8076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5108 11.5446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5496 11.8194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5825 11.5661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0826 12.4318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0438 12.1572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5968 12.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6674 11.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8543 11.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5453 12.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0110 12.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1182 12.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8613 11.8586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9002 12.1334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9331 11.8800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4332 12.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3944 12.4712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9474 12.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0180 11.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2049 12.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4219 13.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3615 12.7244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4688 13.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2053 11.1808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2441 11.4557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2770 11.2023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7771 12.0681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7383 11.7934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2913 12.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3619 11.0222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5488 11.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2397 11.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7055 12.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8127 12.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2266 10.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5606 10.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7912 10.8112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5492 10.5031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5880 10.7780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6209 10.5246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1210 11.3903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0822 11.1157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6352 11.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7059 10.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8927 10.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1098 11.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0494 11.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1566 11.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0510 10.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2636 10.2089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9002 9.2776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9059 9.3820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6931 9.9983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2216 9.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6836 10.0494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3142 8.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0567 10.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2447 10.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7747 9.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1646 9.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5189 9.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1798 10.3445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1888 9.4764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3540 9.2383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5759 8.5009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7478 9.4761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3438 9.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6468 9.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1995 8.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8679 8.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5826 9.7143 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 112113 1 1 0 0 0 113114 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 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 112121 1 0 0 0 0 93112 1 0 0 0 0 M END > LMSP0504AF08 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C84H151N3O32 > 1714.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260659 > - > - > Active (generated by computational methods) > - $$$$