Mol:LBF15306CV01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 21 0 0 0 0 0 0 0 0999 V2000 | + | 21 21 0 0 0 0 0 0 0 0999 V2000 |
| − | 6.6359 -1.3007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.6359 -1.3007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3269 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3269 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1359 -2.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1359 -2.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9449 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9449 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6359 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6359 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3758 -2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3758 -2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6848 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6848 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4769 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4769 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5258 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5258 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3179 1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3179 1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3669 1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3669 1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1590 2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1590 2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2079 2.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2079 2.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1679 -3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1679 -3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5019 0.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5019 0.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5019 1.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5019 1.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1359 -3.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1359 -3.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6359 -0.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6359 -0.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2168 -3.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2168 -3.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3679 -0.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3679 -0.3007 0.0000 O 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 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 2 6 2 0 0 0 0 | + | 2 6 2 0 0 0 0 |
| − | 1 7 1 6 0 0 0 | + | 1 7 1 6 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 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 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 1 19 1 1 0 0 0 | + | 1 19 1 1 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
| − | 15 20 2 0 0 0 0 | + | 15 20 2 0 0 0 0 |
| − | 19 16 1 0 0 0 0 | + | 19 16 1 0 0 0 0 |
| − | 16 21 2 0 0 0 0 | + | 16 21 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF15306CV01 | + | ID LBF15306CV01 |
| − | FORMULA C17H22O4 | + | FORMULA C17H22O4 |
| − | EXACTMASS 290.151809192 | + | EXACTMASS 290.151809192 |
| − | AVERAGEMASS 290.35418 | + | AVERAGEMASS 290.35418 |
| − | SMILES CCCCCC=CC[C@](OC(C)=O)(C=1)C(=CC=O)C(=O)C1 | + | SMILES CCCCCC=CC[C@](OC(C)=O)(C=1)C(=CC=O)C(=O)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 21 0 0 0 0 0 0 0 0999 V2000
6.6359 -1.3007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3269 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1359 -2.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9449 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6359 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3758 -2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6848 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5258 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3179 1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3669 1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 2.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1679 -3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5019 0.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5019 1.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1359 -3.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6359 -0.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2168 -3.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3679 -0.3007 0.0000 O 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 2 0 0 0 0
1 5 1 0 0 0 0
2 6 2 0 0 0 0
1 7 1 6 0 0 0
7 8 1 0 0 0 0
8 9 2 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
3 18 2 0 0 0 0
1 19 1 1 0 0 0
6 15 1 0 0 0 0
15 20 2 0 0 0 0
19 16 1 0 0 0 0
16 21 2 0 0 0 0
16 17 1 0 0 0 0
S SKP 5
ID LBF15306CV01
FORMULA C17H22O4
EXACTMASS 290.151809192
AVERAGEMASS 290.35418
SMILES CCCCCC=CC[C@](OC(C)=O)(C=1)C(=CC=O)C(=O)C1
M END
