Mol:EEL0023
Copyright: ARM project http://www.metabolome.jp/
49 48 0 0 0 0 0 0 0 0999 V2000 -8.4561 -0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3984 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8126 -0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2015 -0.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5905 0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9311 1.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0149 -0.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2043 0.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7914 1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1569 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4426 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7282 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7007 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1296 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5586 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7019 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4163 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1308 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 -0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5462 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8318 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1175 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5969 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3114 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0258 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7404 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4548 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8838 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0271 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7415 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4426 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1308 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8318 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0258 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8838 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7415 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8453 1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4561 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9092 -0.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 4 5 1 0 5 6 1 0 4 8 1 0 4 7 1 0 9 6 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 23 22 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 38 37 1 0 7 24 1 0 11 39 1 0 15 40 1 0 19 41 1 0 23 42 1 0 26 43 1 0 30 44 1 0 34 45 1 0 38 46 1 0 23 47 1 0 38 48 1 0 1 2 1 0 2 49 1 0 3 49 1 0
A 1 Man A 2 Gal S SKP 6 ID EEL0023 FORMULA C45H92O3 EXACTMASS 680.70464681 AVERAGEMASS 681.21018 SMILES C(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)C(COCC)(OCCC(CCCC(C)CCCC(CCCC(C)C)C)C)[H] AUTODRAW FALSE M END
