Mol:EEL0038
Copyright: ARM project http://www.metabolome.jp/
54 53 0 0 0 0 0 0 0 0999 V2000 6.3628 0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3055 0.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8249 -0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2526 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8338 -1.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9976 0.0642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0268 -0.9716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7742 -2.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0597 -1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3455 -2.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6312 -1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 -2.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7976 -1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -2.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2263 -1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9407 -2.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6552 -1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3694 -2.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0839 -1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7981 -2.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5125 -1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2269 -2.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1635 -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 -2.1226 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8369 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5514 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2658 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9802 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6943 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4087 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1232 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8377 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3455 -3.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -3.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3694 -3.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2269 -3.1536 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 -2.1226 -1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9802 -1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8377 -1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5465 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0379 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7169 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7182 2.2979 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8578 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5465 2.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7159 3.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2654 0.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7197 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 EEL0038 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
