Accord 08271317192D 106110 0 0 0 0 0 0 0 0999 V2000 23.3285 7.7416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6007 8.1606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8727 7.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7493 7.0137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9077 7.0137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0567 8.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1453 6.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1453 5.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4175 7.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9969 8.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1950 8.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6842 6.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9505 7.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2169 6.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4832 7.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7496 6.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1387 8.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4050 7.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6714 8.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9377 7.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2039 8.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4705 7.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7367 8.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0030 7.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7496 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0030 7.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1991 6.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3953 7.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5914 6.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 7.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9836 6.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9528 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1559 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3591 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5622 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7654 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9685 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1717 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3748 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5780 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7909 5.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9843 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1874 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3906 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5937 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7969 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0617 10.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3960 10.1508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4605 10.4183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5192 10.1717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0327 11.0143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9682 10.7470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5332 10.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5752 9.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8105 10.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5097 10.7124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9096 10.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0406 11.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8440 10.4564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9085 10.7239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9673 10.4773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4807 11.3199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4162 11.0526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9811 11.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0232 10.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2585 10.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4698 11.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3576 11.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4886 11.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4392 10.7697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6729 10.1700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3191 9.2636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3514 9.3652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1176 9.9650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6587 9.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0817 10.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7488 8.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9015 9.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4715 10.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6812 10.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9295 8.9043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1632 8.3046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8095 7.3982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8418 7.4998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6079 8.0996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1489 7.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5720 8.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1984 7.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3919 7.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9619 9.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1716 8.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4487 6.6313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5131 6.8989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5719 6.6523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0853 7.4948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0209 7.2276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5858 7.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6278 6.4769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8631 6.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0744 7.9099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9622 7.4741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0933 7.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4961 6.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8212 6.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1372 6.2716 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 67 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 78 82 1 0 0 0 0 93 94 1 1 0 0 0 95 94 1 1 0 0 0 96 95 1 1 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 97102 1 0 0 0 0 93102 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 104105 1 0 0 0 0 104106 2 0 0 0 0 89 93 1 0 0 0 0 M END > LMISSP0505DN05 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C74H136N2O28 > 1500.93 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261664 > - > - > Active (generated by computational methods) > - $$$$