Accord 08271317192D 109113 0 0 0 0 0 0 0 0999 V2000 23.5383 7.7701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8021 8.1939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0658 7.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9639 7.0339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1127 7.0339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2748 8.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3415 6.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3415 5.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6053 7.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2029 8.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3917 8.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8637 6.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1216 7.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 6.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6375 7.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8956 6.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3234 8.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5813 7.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8393 8.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0972 7.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3550 8.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6132 7.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8710 8.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1290 7.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8956 5.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1290 7.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3158 6.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5028 7.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6897 6.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8766 7.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0636 6.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0896 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2836 5.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4776 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6717 5.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8657 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0597 5.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2537 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4478 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6418 5.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8358 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0299 5.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2239 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 5.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6119 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 5.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2798 10.4659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6066 10.2069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6603 10.4775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7083 10.2280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2162 11.0803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1624 10.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7224 11.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7763 10.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9914 10.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6872 10.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1145 11.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2356 11.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0139 10.5160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0677 10.7866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1157 10.5371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6235 11.3894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5698 11.1191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1298 11.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1837 10.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3988 10.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6125 11.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5219 11.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6430 11.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5701 10.8329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7950 10.2264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4372 9.3096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4585 9.4123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2334 10.0190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7692 9.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2085 10.0693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8604 8.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0035 9.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5914 10.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7920 10.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8764 7.9621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9301 8.2326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9781 7.9832 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4860 8.8355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4322 8.5651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9922 8.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0462 7.8059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2612 8.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9570 8.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3843 8.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5055 9.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9129 7.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2417 7.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4843 7.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9392 11.6848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2625 12.3993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3161 12.6693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3263 13.6534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0031 12.9390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7537 13.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1451 11.9730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7968 13.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5304 14.0203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9495 12.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3709 13.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9247 11.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0877 11.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5557 12.0802 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 2 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 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 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 68 96 1 0 0 0 0 M END > LMISSP0505DP07 > > GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C76H137N3O28 > 1539.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261682 > - > - > Active (generated by computational methods) > - $$$$