Accord 08271317192D 78 80 0 0 0 0 0 0 0 0999 V2000 18.3914 7.7129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6720 8.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9523 7.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8074 6.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9755 6.9933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1112 8.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2218 6.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2218 5.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5024 6.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0636 8.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2709 8.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7775 6.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0523 6.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3271 6.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6019 6.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8768 6.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2268 8.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5016 7.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7764 8.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0512 7.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3258 8.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6008 7.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8755 8.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1503 7.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8768 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1503 7.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3556 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5611 7.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7664 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9717 7.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1772 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0891 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3014 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5137 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7261 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9384 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1507 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3630 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5754 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7877 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1161 10.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4581 10.0943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5334 10.3587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6030 10.1150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1220 10.9479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0468 10.6837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6168 10.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6468 9.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9024 10.3028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6050 10.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9773 10.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1183 11.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9470 10.3964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0223 10.6608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0919 10.4171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6109 11.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5357 10.9858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1057 11.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0345 11.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3913 10.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0940 10.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4662 11.2294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4337 11.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4360 10.6985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5112 10.9629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5808 10.7191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0998 11.5521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0246 11.2878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5946 11.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6246 10.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8802 10.9069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5829 11.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9551 11.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0962 11.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4944 10.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8157 10.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0755 10.3429 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 62 65 1 0 0 0 0 M END > LMISSP0508AA02 > > GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) > C56H104N2O18 > 1092.73 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GlcNAcbeta1-4Manbeta1-4Glc- (Arthro series) [SP0508] > - > > - > - > - > - > - > - > - > - > - > 44261949 > - > - > Active (generated by computational methods) > - $$$$