Accord 08271317192D 81 83 0 0 0 0 0 0 0 0999 V2000 22.5085 7.6300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8132 8.0302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1178 7.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9105 6.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1065 6.9346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2041 8.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3782 6.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3782 5.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6829 6.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1917 8.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4256 8.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9825 6.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2816 6.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5808 6.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8800 6.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1792 6.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4166 8.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7158 7.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0150 8.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3141 7.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6132 8.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 7.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2116 8.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5108 7.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1792 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5108 6.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7428 6.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9750 6.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2070 6.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4391 6.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6712 6.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4180 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6568 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8956 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1344 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3732 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6120 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8508 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0896 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3284 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5672 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0448 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2836 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5224 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7612 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2089 10.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5730 9.9314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6793 10.1869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7802 9.9514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3154 10.7563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2091 10.5010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7935 10.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7889 9.7839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1031 10.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8158 10.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1083 10.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2782 11.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1799 10.2233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2862 10.4789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3871 10.2433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9223 11.0482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8160 10.7929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4004 11.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2980 11.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7100 10.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4227 10.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7152 11.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7175 11.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9274 10.5226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1954 9.9498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8575 9.0839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9331 9.1810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6649 9.7540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2266 9.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4908 10.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3127 8.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8727 8.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0030 10.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1496 10.0065 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 M END > LMISSP0507AA05 > > Manalpha1-3Manbeta1-4Glcbeta-Cer(d18:1/24:0) > C60H113NO18 > 1135.80 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Manalpha1-3Manbeta1-4Glc- (Mollu series) [SP0507] > - > > - > - > - > - > - > - > - > - > - > 44261944 > - > - > Active (generated by computational methods) > - $$$$