Accord 08271317192D 120125 0 0 0 0 0 0 0 0999 V2000 24.3204 8.6666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6463 9.0547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9719 8.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7102 7.9924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9307 7.9924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9949 9.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2244 7.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2244 6.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5503 7.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0133 9.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2704 9.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8712 7.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1915 7.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5120 7.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8325 7.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1530 7.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4734 7.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7939 7.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1143 7.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4347 7.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7552 7.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0757 7.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0844 6.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7647 6.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7734 5.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0958 5.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4144 5.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7368 5.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0553 5.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3777 5.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6961 5.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0187 5.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3371 5.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2921 9.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6126 8.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9330 9.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2534 8.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5738 9.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8944 8.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2148 9.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5353 8.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8557 9.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1762 8.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4966 9.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8170 8.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1376 9.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4580 8.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3829 10.8999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5157 11.1479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6432 10.9193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1922 11.7004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0594 11.4526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6561 11.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6221 10.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9862 11.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7074 11.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9320 11.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1265 12.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0903 11.1832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2232 11.4311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3506 11.2025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8996 11.9836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7668 11.7359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3635 11.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3295 11.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6936 11.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8895 12.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6394 11.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8339 12.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7918 10.5717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9246 10.8197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0521 10.5911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6010 11.3722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4682 11.1244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0650 11.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0309 10.4286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3950 10.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1162 11.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3408 11.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5354 11.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9088 10.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2101 10.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5160 10.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4932 9.9603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6260 10.2082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7535 9.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3025 10.7607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1697 10.5130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7664 10.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7323 9.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0965 10.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2923 11.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0423 10.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2368 11.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1946 9.3488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3274 9.5968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4549 9.3682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0039 10.1493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8711 9.9015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4678 10.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4337 9.2057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7979 9.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5191 9.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7437 10.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9382 10.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3117 9.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6130 8.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9188 9.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9020 9.6321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0348 9.8801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1623 9.6515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7113 10.4326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5785 10.1848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1752 10.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1411 9.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5053 9.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7011 10.9406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4511 10.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6456 10.7335 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 2 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 104110 1 0 0 0 0 M END > LMISSP0504BR07 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C82H147N3O33 > 1701.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260954 > - > - > Active (generated by computational methods) > - $$$$