Accord 08271317182D 130136 0 0 0 0 0 0 0 0999 V2000 24.3206 8.6657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6467 9.0537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9726 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7103 7.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9310 7.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9949 9.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2250 7.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2250 6.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5511 7.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0136 9.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2710 9.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8722 7.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1928 7.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5135 7.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8342 7.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1549 7.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4755 7.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7962 7.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1170 7.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4376 7.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7583 7.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0790 7.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0877 6.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7678 6.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7765 5.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0991 5.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4179 5.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7405 5.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0592 5.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3819 5.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7005 5.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0233 5.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3420 5.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2930 9.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6137 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9343 9.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2550 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5756 9.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8964 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2170 9.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5377 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8584 9.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1792 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4998 9.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8204 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1412 9.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4618 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3832 10.8982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5162 11.1461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6440 10.9176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1931 11.6984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0601 11.4507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6569 11.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6225 10.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9872 11.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7085 11.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9324 11.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1272 11.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0916 11.1814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2247 11.4293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3525 11.2008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9016 11.9816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7686 11.7339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3654 11.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3310 11.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6957 11.3768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8915 12.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6409 11.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8356 12.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7942 10.5702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9272 10.8180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0550 10.5895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6042 11.3704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4711 11.1227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0679 11.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0335 10.4271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3982 10.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1195 11.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3434 11.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5382 11.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9115 10.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2127 10.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5188 10.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4967 9.9589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6298 10.2068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7575 9.9783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3067 10.7591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1736 10.5114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7704 10.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7361 9.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1007 10.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2965 11.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0459 10.7399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2407 11.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1992 9.3477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3323 9.5955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4601 9.3670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0092 10.1479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8761 9.9002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4730 10.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4386 9.2046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8033 9.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5245 9.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7484 10.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9432 10.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3165 9.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6177 8.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9238 9.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9017 8.7364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0348 8.9843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1626 8.7558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7117 9.5366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5786 9.2889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1755 9.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1411 8.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5058 8.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7015 10.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4509 9.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6457 9.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 10.3426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3678 9.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8169 10.5147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8961 10.8091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7416 11.0971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2399 11.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9366 9.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2744 10.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6327 10.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2925 10.5408 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 16 17 1 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 24 25 1 0 0 0 0 25 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 78 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 103110 1 0 0 0 0 121122 1 1 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 104121 1 0 0 0 0 M END > LMISSP0504AM05 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C88H159N3O37 > 1850.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260712 > - > - > Active (generated by computational methods) > - $$$$