Accord 08271317192D 73 75 0 0 0 0 0 0 0 0999 V2000 16.4991 7.6467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7989 8.0498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0986 7.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9039 6.9465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0943 6.9465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1995 8.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3608 6.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3608 5.7228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6607 6.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1801 8.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4086 8.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9553 6.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2496 6.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5438 6.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 6.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1324 6.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3925 8.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6868 7.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9810 8.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 7.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5694 8.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8638 7.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1580 8.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4522 7.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1324 5.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4522 6.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6789 6.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9056 6.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1323 6.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3589 6.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5857 6.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3658 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5993 5.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8327 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0662 5.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2996 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5331 5.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7665 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2044 10.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5640 9.9643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6641 10.2216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7586 9.9844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2906 10.7950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1905 10.5379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7720 10.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7744 9.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0768 10.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 10.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0961 10.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2602 11.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1471 10.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2472 10.5156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3417 10.2784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8737 11.0890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7736 10.8318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3551 11.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2590 11.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6599 10.4611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3706 10.7985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6792 11.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6744 11.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8718 10.5596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1346 9.9828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7943 9.1109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8634 9.2086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6004 9.7856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1590 9.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4251 10.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2457 8.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8027 8.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9409 10.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0815 10.0400 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 1 0 0 0 0 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 59 63 1 0 0 0 0 M END > LMISSP0507AA01 > > Manalpha1-3Manbeta1-4Glcbeta-Cer(d18:1/16:0) > C52H97NO18 > 1023.67 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Manalpha1-3Manbeta1-4Glc- (Mollu series) [SP0507] > - > > - > - > - > - > - > - > - > - > - > 44261940 > - > - > Active (generated by computational methods) > - $$$$