Accord 08271317182D 80 82 0 0 0 0 0 0 0 0999 V2000 20.1294 7.2491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4009 7.6685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6722 7.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5505 6.5206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7083 6.5206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8581 7.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9452 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9452 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 6.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7975 8.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9949 8.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4828 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7485 6.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0143 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2800 6.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5456 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8113 6.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0771 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3428 6.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6085 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8742 6.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1400 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4057 6.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6714 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9370 6.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2028 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 6.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7342 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9376 7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2034 7.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4691 7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7348 7.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0005 7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2663 7.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5319 7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7976 7.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0633 7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3291 7.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5948 7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8605 7.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3920 7.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8633 9.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1968 9.6609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2602 9.9287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3179 9.6818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8308 10.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7674 10.2578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3318 10.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3751 9.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6083 9.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3072 10.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7098 10.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8399 10.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6407 9.9668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7041 10.2346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7618 9.9877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2747 10.8313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2113 10.5637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7757 10.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8190 9.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0522 10.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2637 11.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1537 10.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2837 11.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0781 9.3064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1415 9.5742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1992 9.3273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7121 10.1709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6487 9.9033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2131 10.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2564 9.1518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4896 9.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1885 9.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5911 10.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7212 10.4960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1245 8.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4500 8.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7003 8.9462 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 M END > LMISSP0504AA03 > > GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C58H108N2O18 > 1120.76 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260614 > - > - > Active (generated by computational methods) > - $$$$