Accord 08271317192D 113118 0 0 0 0 0 0 0 0999 V2000 22.8309 7.7762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0929 8.2010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3548 7.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2575 7.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4042 7.0382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5691 8.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6312 6.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6312 5.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8932 7.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4946 8.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6815 8.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1498 6.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4059 7.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6621 6.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9182 7.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1744 6.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6106 8.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8667 7.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1229 8.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3790 7.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6351 8.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8914 7.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1474 8.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4036 7.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1744 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4036 7.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5885 6.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7735 7.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9584 6.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1433 7.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3283 6.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3665 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5586 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7507 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9428 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1348 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3269 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5190 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7111 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9031 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0952 5.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5742 10.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8993 10.2189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9508 10.4901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9964 10.2401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5031 11.0944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4516 10.8234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0106 11.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0671 10.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2778 10.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9729 10.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4061 11.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5251 11.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2979 10.5288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3494 10.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3951 10.5499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9018 11.4043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8503 11.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4092 11.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4657 10.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6765 10.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8907 11.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8047 11.3832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9237 11.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6901 9.8600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7415 10.1312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7872 9.8811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2939 10.7355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2424 10.4645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8013 10.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8578 9.7034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0686 10.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7636 10.4294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1968 10.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3158 11.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7243 9.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0539 9.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2946 9.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0887 10.1698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1402 10.4410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1859 10.1910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6926 11.0453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6411 10.7743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2000 11.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2565 10.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4672 10.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6814 11.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5955 11.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7145 11.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4808 9.5010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5323 9.7722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5780 9.5222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0847 10.3765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0332 10.1055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5921 10.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6486 9.3444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8594 9.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9876 10.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1066 10.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5151 9.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8446 8.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0854 9.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2379 9.9699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2468 9.1133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4230 8.8783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6552 8.1507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8249 9.1130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4261 8.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6988 9.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2706 8.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9433 7.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6487 9.3481 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 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 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 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 105106 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 104113 1 0 0 0 0 72104 1 0 0 0 0 M END > LMISSP0505CG02 > > GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O32 > 1603.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261437 > - > - > Active (generated by computational methods) > - $$$$