Mol:EEL0080
Copyright: ARM project http://www.metabolome.jp/
53 37 0 0 0 0 0 0 0 0999 V2000 -6.4169 -0.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9342 1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5461 1.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9807 2.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5925 3.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8178 1.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8449 2.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0448 1.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9306 3.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1661 3.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0448 2.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6526 -0.2237 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.6526 0.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8882 -0.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6526 -0.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1737 -0.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4591 -0.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7447 -0.6362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 1.3683 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 -2.7447 -1.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0302 -0.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4516 3.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7371 2.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0226 2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3081 1.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5935 1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1645 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2645 -0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9791 -0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6936 -0.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4081 -1.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1226 -1.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8372 -2.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5517 -2.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2662 -3.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9807 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5068 2.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7923 1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0777 1.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 0.9831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6487 0.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9342 0.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2196 -0.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4949 -0.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2094 -1.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 -1.4914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6384 -1.9038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 -2.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0675 -2.7286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7820 -3.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4965 -3.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 7 1 0 3 6 1 0 6 8 1 0 5 9 1 0 9 10 2 0 8 11 2 0 1 12 1 0 12 13 2 0 12 14 1 0 12 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 8 19 1 0 18 20 1 0 18 21 1 0 10 22 1 0 22 23 3 0 23 24 1 0 24 25 3 0 25 26 1 0 26 27 3 0 27 28 1 0 28 29 3 0 29 30 1 0 30 31 3 0 31 32 1 0 32 33 3 0 33 34 1 0 34 35 3 0 35 36 1 0 36 37 3 0 37 38 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 M SAL 1 15 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 M SAL 1 2 52 53 M SBL 1 1 21 M SMT 1 C17H33 M SBV 1 21 -0.7145 0.4124 S SKP 6 AUTODRAW FALSE ID EEL0080 FORMULA C26H34NO7PR EXACTMASS 533.868388957 AVERAGEMASS 534.185561 SMILES O(C(COP(O)(=O)OCCN([H])C)([H])COC=CC#CC#CC#CC#CC#CC#CC#CC#CC)C(=O)[R] M END
