Mol:EEL0011
Copyright: ARM project http://www.metabolome.jp/
49 48 0 0 0 0 0 0 0 0999 V2000 -6.0814 -1.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5012 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1229 0.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4477 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6922 1.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9685 -0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4622 0.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8249 1.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1103 1.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6822 1.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9677 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 1.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1754 1.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6043 1.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3188 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0331 1.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7473 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4615 1.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1761 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2141 -0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 -0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0715 -0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 -0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6426 -0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 -0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 -0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5005 -0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2152 -0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 -0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6435 -0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 -0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7867 -0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3188 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1761 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 -1.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 -1.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 -1.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7867 -1.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8905 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5012 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 0.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2564 -1.7679 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 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
S SKP 6 AUTODRAW FALSE ID EEL0011 FORMULA C44H90O4 EXACTMASS 682.683911368 AVERAGEMASS 683.1830000000001 SMILES C(CC(C)CCCC(C)CCOCC(OCCC(CCCC(C)CCCC(CCCC(C)C)C)(C)O)([H])COC)CC(C)CCCC(C)C M END
