Accord 08271317192D 124130 0 0 0 0 0 0 0 0999 V2000 24.3205 7.0783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6457 7.4669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9706 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9303 6.4035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2235 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2235 5.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5487 6.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0130 8.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2695 8.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8689 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1887 6.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5085 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8283 6.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1481 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4679 6.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7877 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1076 6.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4274 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7472 6.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0670 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3868 6.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7066 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0264 6.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3462 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6660 6.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2902 7.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6100 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9298 7.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2496 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5694 7.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8892 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2090 7.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5288 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8486 7.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1685 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4883 7.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8081 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1280 7.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4478 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3829 9.3116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5155 9.5596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6429 9.3309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1918 10.1122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0591 9.8644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6558 10.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6219 9.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9858 9.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7069 9.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9319 10.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1262 10.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0898 9.5949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2224 9.8429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3498 9.6143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8987 10.3955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7660 10.1477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3627 10.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3288 9.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6927 9.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8885 10.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6388 10.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8332 10.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7907 8.9834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9234 9.2314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0507 9.0027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5996 9.7839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4670 9.5361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0636 9.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0297 8.8402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3936 9.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1147 9.5040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3397 9.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5341 10.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9076 8.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2090 8.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5147 8.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4916 8.3718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6243 8.6198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7516 8.3912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3006 9.1724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1679 8.9246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7646 9.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7306 8.2286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0945 8.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2904 9.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0406 9.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2350 9.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1925 7.7603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3252 8.0083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4526 7.7796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0015 8.5608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8688 8.3130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4655 8.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4316 7.6171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 7.9558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5166 8.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7416 8.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9359 8.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3095 7.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6108 7.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9166 7.4267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8995 8.0436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0321 8.2916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1595 8.0630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7084 8.8442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5757 8.5964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1724 8.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1385 7.9004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5024 8.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6982 9.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4485 8.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 9.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6400 9.9788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9575 9.5942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4063 10.1509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4850 10.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3309 10.7336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8290 10.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5266 9.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8635 10.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2216 10.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8822 10.1770 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 3 28 2 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 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 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 72 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 73115 1 0 0 0 0 M END > LMISSP0504BD02 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C82H147N3O37 > 1765.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260845 > - > - > Active (generated by computational methods) > - $$$$