Mol:EEL0042
Copyright: ARM project http://www.metabolome.jp/
59 58 0 0 0 0 0 0 0 0999 V2000 7.6209 0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6222 2.1948 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6131 3.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 -1.2246 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 -2.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3629 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2094 0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8457 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1771 -0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5933 -1.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9221 0.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 -0.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9841 -1.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 -1.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1588 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8733 -1.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -1.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0164 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7309 -1.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4452 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1596 -1.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8739 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5883 -1.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3028 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0879 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3735 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6593 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7695 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4838 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1982 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9126 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6271 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3416 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0559 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7701 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4845 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1991 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9135 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -3.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 -3.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4452 -3.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3028 -3.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6593 -1.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1982 -1.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0559 -1.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9135 -1.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6223 0.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1137 -1.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6448 2.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6223 2.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5660 -1.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6779 -1.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2033 0.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6233 1.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6233 -0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 5 4 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 12 1 0 8 11 1 0 13 10 1 0 14 13 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 38 37 1 0 39 38 1 0 40 39 1 0 41 40 1 0 42 41 1 0 11 28 1 0 15 43 1 0 19 44 1 0 23 45 1 0 27 46 1 0 30 47 1 0 34 48 1 0 38 49 1 0 42 50 1 0 42 51 1 0 27 52 1 0 6 1 1 0 53 2 2 0 54 2 2 0 55 4 2 0 56 4 2 0 2 58 1 0 1 58 1 0 1 59 1 0 4 59 1 0 6 57 1 0 7 57 1 0
A 1 Man A 6 Glc S SKP 6 ID EEL0042 FORMULA C45H92O11S2 EXACTMASS 872.608105166 AVERAGEMASS 873.3373800000002 SMILES C(OCC(OS(O)(=O)=O)OS(O)(=O)=O)C(COCCC(C)CCCC(CCCC(C)CCCC(C)C)C)([H])OCCC(CCCC(CCCC(CCCC(C)C)C)C)C AUTODRAW FALSE M END
