Accord 08271317192D 124130 0 0 0 0 0 0 0 0999 V2000 22.2310 7.7626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4971 8.1851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7629 7.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6554 7.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8067 7.0285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9653 8.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0378 6.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0378 5.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3039 7.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8966 8.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0879 8.8934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5644 6.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8246 7.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0848 6.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3449 7.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6052 6.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0228 8.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2829 7.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5431 8.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8032 7.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0633 8.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3236 7.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5837 8.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8439 7.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6052 5.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8439 7.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0332 6.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2226 7.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4119 6.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6012 7.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7906 6.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8016 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9980 5.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1945 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3909 5.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5874 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7838 5.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9802 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1767 5.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3731 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5695 5.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9624 5.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1589 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3553 5.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9704 10.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2991 10.1921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3557 10.4618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4065 10.2131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9159 11.0629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8593 10.7933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4206 11.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4714 10.0363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6918 10.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3885 10.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8086 11.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9323 11.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7172 10.5002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7738 10.7700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8246 10.5213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3340 11.3710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2774 11.1015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8387 11.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8895 10.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1099 10.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3229 11.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2267 11.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3504 11.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 9.8351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1854 10.1048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2362 9.8561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7456 10.7059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6890 10.4363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2503 10.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3011 9.6793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5215 10.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2182 10.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6382 10.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7620 11.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1683 9.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4960 9.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7409 9.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5469 10.1432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6035 10.4130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6543 10.1643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1637 11.0140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1071 10.7445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6684 10.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7192 9.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9396 10.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1526 11.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0563 10.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1801 11.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1134 10.4591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3406 9.8545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9839 8.9404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0081 9.0429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7807 9.6477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3179 9.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7529 9.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4088 8.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.3589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1376 10.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3406 10.0576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2028 9.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2117 9.1355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3923 8.9018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6286 8.1781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7974 9.1352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4008 8.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6612 9.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2407 8.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9152 7.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 9.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6953 9.9444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7042 9.0924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8848 8.8587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1211 8.1350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2899 9.0921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8933 8.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1537 9.5516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7332 8.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4077 7.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1092 9.3259 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 90 94 1 0 0 0 0 105106 1 1 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 109114 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 105114 1 0 0 0 0 89105 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 76115 1 0 0 0 0 M END > LMISSP0505CY04 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C84H152N2O36 > 1765.01 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261559 > - > - > Active (generated by computational methods) > - $$$$