Mol:EEL0041
Copyright: ARM project http://www.metabolome.jp/
54 53 0 0 0 0 0 0 0 0999 V2000 6.3626 0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3054 0.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 -0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2525 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8337 -1.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9975 0.0642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0267 -0.9716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7741 -2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3455 -2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6312 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 -2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7976 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2262 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 -2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6551 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3693 -2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0837 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7979 -2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5123 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2267 -2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7349 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0206 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6938 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4082 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1225 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8368 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5513 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2657 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6941 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4085 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8375 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3455 -3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3693 -3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2267 -3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7349 -1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1225 -1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 -1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8375 -1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5462 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0377 -1.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 2.2978 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8576 2.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5462 2.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7157 3.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2652 0.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7195 1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 4 5 1 0 3 7 1 0 3 6 1 0 8 5 1 0 9 8 1 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 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 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 28 27 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 6 23 1 0 10 38 1 0 14 39 1 0 18 40 1 0 22 41 1 0 25 42 1 0 29 43 1 0 33 44 1 0 37 45 1 0 37 46 1 0 22 47 1 0 1 48 1 0 50 49 2 0 51 49 2 0 52 49 1 0 2 53 1 0 1 53 1 0 49 54 1 0 54 48 1 0
A 1 Glc A 48 Man S SKP 6 ID EEL0041 FORMULA C45H92O7S EXACTMASS 776.6563759879999 AVERAGEMASS 777.2737800000001 SMILES C(COC(COCCC(CCCC(C)CCCC(C)CCCC(C)C)C)([H])COCCOS(O)(=O)=O)C(C)CCCC(C)CCCC(CCCC(C)C)C AUTODRAW FALSE M END
