Mol:EEL0008
Copyright: ARM project http://www.metabolome.jp/
55 54 0 0 0 0 0 0 0 0999 V2000 -5.8822 -1.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5014 0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1231 0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4479 1.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6924 2.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9687 0.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4624 1.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8251 2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1105 2.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 2.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6822 2.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9677 2.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 2.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 2.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1754 2.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 2.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6043 2.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3188 2.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0331 2.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7475 2.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4617 2.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1763 2.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2143 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0715 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6426 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5005 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2152 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6437 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3579 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0726 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3188 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1763 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8907 2.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5014 0.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 0.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9999 -1.6714 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.9999 -2.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1749 -1.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9999 -0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4605 -2.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -1.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0315 -2.0839 0.0000 N 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 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 22 46 1 0 37 47 1 0 25 48 1 0 1 49 1 0 49 50 1 0 49 51 1 0 49 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0
S SKP 6 AUTODRAW FALSE ID EEL0008 FORMULA C45H94NO7P EXACTMASS 791.676790877 AVERAGEMASS 792.204161 SMILES NCCOP(O)(=O)OCC([H])(COCCC(CCCC(C)CCCC(C)CCCC(C)C)C)OCCC(C)(O)CCCC(C)CCCC(CCCC(C)C)C M END
