Accord 08271317182D 121126 0 0 0 0 0 0 0 0999 V2000 22.4219 9.0649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6756 9.4945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9290 9.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8534 8.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9905 8.3185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1686 9.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2085 7.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2085 7.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4622 8.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0819 10.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2595 10.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7104 7.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9580 8.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2057 7.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4534 8.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7011 7.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9487 8.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1964 7.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4441 8.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6917 7.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9394 8.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1871 7.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1968 7.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9499 6.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9596 5.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2094 5.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4550 5.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7048 5.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9503 5.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2003 5.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4456 5.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6957 5.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9411 5.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1910 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4365 5.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1764 9.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4241 9.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6717 9.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9194 9.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1670 9.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4148 9.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6624 9.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9101 9.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1578 9.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4055 9.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6531 9.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9007 9.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1486 9.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3962 9.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1743 11.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4912 11.5373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5311 11.8118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5651 11.5587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0658 12.4235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0259 12.1492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5794 12.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6488 11.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8378 11.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5291 12.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9919 12.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1002 12.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8459 11.8509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8859 12.1254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9199 11.8724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4206 12.7371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3807 12.4628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9342 12.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0036 11.6924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1925 12.0673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4093 13.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3467 12.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4550 13.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1941 11.1740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2340 11.4485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2681 11.1954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7688 12.0602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7288 11.7859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2824 12.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3517 11.0155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5407 11.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2320 11.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6949 12.0388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8031 12.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2166 10.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5502 10.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7817 10.8048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5423 10.4970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5822 10.7716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6162 10.5185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1169 11.3832 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0770 11.1089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6305 11.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6999 10.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8888 10.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1057 11.9457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0430 11.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1513 11.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0481 10.8185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2616 10.2032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8986 9.2730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9055 9.3772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6918 9.9928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2208 9.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6812 10.0439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3133 8.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0550 10.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2439 10.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7722 9.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1616 9.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5166 9.4589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1744 10.3386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1834 9.4715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3496 9.2337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5724 8.4971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7441 9.4712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3405 9.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6409 9.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1953 8.6327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 8.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5780 9.7091 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 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 112121 1 0 0 0 0 93112 1 0 0 0 0 M END > LMISSP0504AF06 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C84H153N3O32 > 1716.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260657 > - > - > Active (generated by computational methods) > - $$$$