Accord 08271317192D 105109 0 0 0 0 0 0 0 0999 V2000 21.9094 7.7731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1724 8.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4351 7.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3355 7.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4833 7.0360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6467 8.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7112 6.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7112 5.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9741 7.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5736 8.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7615 8.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2316 6.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4887 7.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7457 6.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0028 7.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2599 6.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6919 8.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9489 7.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2060 8.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4630 7.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7200 8.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9772 7.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2342 8.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4912 7.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2599 5.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4912 7.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6771 6.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8632 7.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0491 6.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2350 7.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4210 6.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4530 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6461 5.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8391 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0322 5.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2253 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4183 5.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6114 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8045 5.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9975 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1906 5.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3837 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5767 5.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6518 10.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9777 10.2128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0304 10.4837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0772 10.2340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5845 11.0873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5319 10.8166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0913 11.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1465 10.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3595 10.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0549 10.7815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4851 11.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6052 11.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3808 10.5223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4335 10.7932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4803 10.5434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9876 11.3967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9350 11.1261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4944 11.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5496 10.3659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7626 10.7358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9765 11.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8882 11.3757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0083 11.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7774 9.8543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8300 10.1252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8768 9.8755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3841 10.7288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3315 10.4581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8910 10.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9462 9.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1591 10.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8545 10.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2848 10.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4048 11.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8128 9.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1420 9.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3837 9.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1804 10.1638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2331 10.4346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2799 10.1849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7872 11.0382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7346 10.7675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2940 11.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3492 10.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 10.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7761 11.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6878 11.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8079 11.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7325 10.4810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9565 9.8738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5983 8.9559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6184 9.0588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3942 9.6662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9295 9.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3705 9.7166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 8.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7526 10.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9523 10.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4603 9.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8445 9.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2081 9.1394 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 M END > LMISSP0505CE03 > > GlcNAcalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C72H131N3O28 > 1485.89 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261422 > - > - > Active (generated by computational methods) > - $$$$