Accord 08271317192D 119124 0 0 0 0 0 0 0 0999 V2000 23.6696 7.7880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9282 8.2148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1867 7.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0982 7.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2410 7.0465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4113 8.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4643 6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4643 5.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7230 7.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3318 8.9139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5149 8.9303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9761 6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2287 7.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4814 6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7341 7.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9869 6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4390 8.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6917 7.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9444 8.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1971 7.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4496 8.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7025 7.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9551 8.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2078 7.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9869 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2078 7.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5701 7.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7513 6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9324 7.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1136 6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1752 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3635 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5519 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7402 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9285 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1168 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3051 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4934 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6818 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8701 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0584 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2467 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6234 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8117 5.7161 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 24.4164 10.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7383 10.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7854 10.5145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8267 10.2633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3311 11.1216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2840 10.8494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8408 11.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9023 10.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1047 10.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7983 10.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2428 11.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3577 11.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1203 10.5533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1673 10.8258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2086 10.5746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7130 11.4329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6659 11.1606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2228 11.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2842 10.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4866 10.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7018 11.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6248 11.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7396 11.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4956 9.8814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5427 10.1539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5839 9.9027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0883 10.7610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0412 10.4887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5981 10.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6595 9.7241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8619 10.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5556 10.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0001 10.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1150 11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5254 9.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8565 9.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0937 9.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8775 10.1927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9246 10.4652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9658 10.2140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4702 11.0723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4231 10.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9800 11.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0414 10.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2438 10.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4591 11.6306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3820 11.0511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4969 11.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4093 10.5118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6287 9.9010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2684 8.9777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2827 9.0812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0631 9.6922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5957 9.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 9.7429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 8.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9342 9.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4236 10.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6186 10.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1355 9.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5220 9.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 9.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5198 10.0354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5288 9.1748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7012 8.9387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9298 8.2077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1002 9.1745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6996 8.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9829 9.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5480 8.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2192 7.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9278 9.4106 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 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 79 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 111112 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 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 110119 1 0 0 0 0 91110 1 0 0 0 0 M END > LMISSP0505CU07 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C82H147N3O32 > 1686.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261546 > - > - > Active (generated by computational methods) > - $$$$