Mol:LBF30000BC01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 32 0 0 1 0 0 0 0 0999 V2000 -4.5073 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9243 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3412 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1738 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5909 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0079 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4249 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1582 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0732 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7909 0.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7937 0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5073 1.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5073 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9243 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3412 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1752 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5923 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0093 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4262 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1568 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7398 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3227 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9057 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0718 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0718 -1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2038 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 18 1 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 1 4 0 0 0 S SKP 5 ID LBF30000BC01 FORMULA C31H62O2 EXACTMASS 466.47498122800005 AVERAGEMASS 466.82278 SMILES C(CCCCCC(O)=O)CCCCCCCCCCCCCCCCCCCCC(C)CC M END
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