Mol:EEL0022
Copyright: ARM project http://www.metabolome.jp/
50 49 0 0 0 0 0 0 0 0999 V2000 -6.5009 -0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1226 0.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4474 1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6919 1.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9682 0.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4619 0.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8247 1.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1101 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3963 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6821 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9676 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1754 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6043 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3187 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7473 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2139 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4999 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7856 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0714 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6426 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5005 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2151 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9293 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6435 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3575 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0721 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7864 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3963 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3187 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7856 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9293 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7864 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8902 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5009 -0.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 2.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9358 -2.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1108 -2.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9951 -2.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 2 6 1 0 2 5 1 0 7 4 1 0 8 7 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 23 22 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 5 22 1 0 9 37 1 0 13 38 1 0 17 39 1 0 21 40 1 0 24 41 1 0 28 42 1 0 32 43 1 0 36 44 1 0 21 45 1 0 36 46 1 0 47 9 1 0 1 48 1 0 48 49 1 0 49 50 1 0
A 49 Gal A 50 Gal S SKP 6 AUTODRAW FALSE ID EEL0022 FORMULA C45H92O4 EXACTMASS 696.699561432 AVERAGEMASS 697.2095800000001 SMILES C(CCC(C)CCCC(C)C)C(C)CCCC(C)(O)CCOCC(COCC)(OCCC(C)CCCC(CCCC(CCCC(C)C)C)C)[H] M END
