Accord 08271317192D 81 83 0 0 0 0 0 0 0 0999 V2000 22.5387 7.6341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8422 8.0350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1455 7.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9413 6.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1360 6.9376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2354 8.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4064 6.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4064 5.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7099 6.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2213 8.6918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4539 8.7072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0083 6.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3062 6.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6042 6.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9021 6.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2002 6.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4432 8.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7412 7.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0391 8.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3371 7.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6349 8.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9331 7.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2309 8.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5289 7.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2002 5.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5289 6.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7596 6.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9904 6.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2211 6.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4519 6.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6827 6.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4377 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6752 5.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9127 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1501 5.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3876 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6251 5.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8626 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1001 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3376 5.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5751 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8126 5.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 5.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 5.6877 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 23.2402 10.1845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6032 9.9395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7080 10.1955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8074 9.9595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3418 10.7658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2370 10.5100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8207 10.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8178 9.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1291 10.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8413 10.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1378 10.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3063 11.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2043 10.2319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3091 10.4879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4084 10.2519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9429 11.0582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8381 10.8024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4218 11.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3209 11.3689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7302 10.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4424 10.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7388 11.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7394 11.3689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9462 10.5317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2129 9.9579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8744 9.0905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9485 9.1878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6816 9.7617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2425 9.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5071 10.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3287 8.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8880 8.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0203 10.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1653 10.0147 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 67 71 1 0 0 0 0 M END > LMISSP0507AA07 > > Manalpha1-3Manbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C60H111NO18 > 1133.78 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Manalpha1-3Manbeta1-4Glc- (Mollu series) [SP0507] > - > > - > - > - > - > - > - > - > - > - > 44261946 > - > - > Active (generated by computational methods) > - $$$$