Mol:LBF30000BC01
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 33 32 0 0 1 0 0 0 0 0999 V2000 | + | 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 | + | -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 | + | -3.9243 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 | + | -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 | + | -2.7582 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 | + | -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 | + | -1.5909 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 | + | -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 | + | -0.4249 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 | + | 0.1582 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 | + | 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 | + | 1.3241 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 | + | 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 | + | 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 | + | 3.0732 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 | + | 3.7909 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 | + | 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 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 | + | -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 | + | -3.9243 -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 | + | -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 | + | -2.7582 -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 | + | -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 | + | -1.5923 -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 | + | -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 | + | -0.4262 -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 | + | 0.1568 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 | + | 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 | + | 1.3227 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 | + | 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 | + | 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 -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 | + | 3.0718 -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 | + | 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 | + | 1 2 1 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 15 17 2 0 0 0 0 | + | 15 17 2 0 0 0 0 |
− | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 28 27 1 0 0 0 0 | + | 28 27 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 30 33 1 4 0 0 0 | + | 30 33 1 4 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF30000BC01 | + | ID LBF30000BC01 |
− | FORMULA C31H62O2 | + | FORMULA C31H62O2 |
− | EXACTMASS 466.47498122800005 | + | EXACTMASS 466.47498122800005 |
− | AVERAGEMASS 466.82278 | + | AVERAGEMASS 466.82278 |
− | SMILES C(CCCCCC(O)=O)CCCCCCCCCCCCCCCCCCCCC(C)CC | + | SMILES C(CCCCCC(O)=O)CCCCCCCCCCCCCCCCCCCCC(C)CC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
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