Accord 08271317182D 91 94 0 0 0 0 0 0 0 0999 V2000 20.1122 7.2468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3846 7.6658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6567 7.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5328 6.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6916 6.5192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8402 7.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9293 6.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9293 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2017 6.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7807 8.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9790 8.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4686 6.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7352 6.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0018 6.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2683 6.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5348 6.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8013 6.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0680 6.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3345 6.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6010 6.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8675 6.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1342 6.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4007 6.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6672 6.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9337 6.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2003 6.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4669 6.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7334 6.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9229 7.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1896 7.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4561 7.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7226 7.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9891 7.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2557 7.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5223 7.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7888 7.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0553 7.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3219 7.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5885 7.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8550 7.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1216 7.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3881 7.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8453 9.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1796 9.6559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2441 9.9234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3028 9.6767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8162 10.5194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7518 10.2521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3167 10.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3588 9.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5940 9.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2932 10.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6931 10.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8242 10.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6275 9.9615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6920 10.2290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7507 9.9823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2641 10.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1997 10.5577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7646 10.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8067 9.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0419 10.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2532 11.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1411 10.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2721 11.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0690 9.3018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1335 9.5693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1922 9.3227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7056 10.1654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6412 9.8981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2061 10.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2482 9.1474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4834 9.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1826 9.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5825 10.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7136 10.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1165 8.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4415 8.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6927 8.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5105 8.6422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5749 8.9097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6336 8.6631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1471 9.5057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0826 9.2384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6476 9.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6896 8.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9248 8.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1361 10.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 9.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1550 9.8304 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 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 M END > LMISSP0504AB03 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C64H118N2O23 > 1282.81 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260622 > - > - > Active (generated by computational methods) > - $$$$