Mol:LBF18107HO02
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 23 0 0 1 0 0 0 0 0999 V2000 | + | 24 23 0 0 1 0 0 0 0 0999 V2000 |
| − | -4.2823 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2823 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1086 1.5646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.1086 1.5646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.1571 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1571 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5220 1.5646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5220 1.5646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.4735 1.5646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.4735 1.5646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.4735 2.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4735 2.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5220 2.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5220 2.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8698 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8698 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2823 2.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2823 2.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2823 0.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2823 0.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1042 2.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1042 2.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3898 2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3898 2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3668 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3668 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7793 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7793 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3668 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3668 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7793 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7793 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3668 -1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3668 -1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7793 -2.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7793 -2.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3668 -2.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3668 -2.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6712 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6712 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2587 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2587 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4338 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4338 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0213 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0213 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1571 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1571 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 24 1 4 0 0 0 | + | 2 24 1 4 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 4 0 0 0 | + | 5 6 1 4 0 0 0 |
| − | 4 7 1 4 0 0 0 | + | 4 7 1 4 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 5 13 1 0 0 0 0 | + | 5 13 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 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 |
| − | 3 24 2 0 0 0 0 | + | 3 24 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18107HO02 | + | ID LBF18107HO02 |
| − | FORMULA C18H34O6 | + | FORMULA C18H34O6 |
| − | EXACTMASS 346.23553882 | + | EXACTMASS 346.23553882 |
| − | AVERAGEMASS 346.45896 | + | AVERAGEMASS 346.45896 |
| − | SMILES CCCCCC(OO)C=CC(O)C(O)CCCCCCCC(O)=O | + | SMILES CCCCCC(OO)C=CC(O)C(O)CCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-4.2823 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1086 1.5646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1571 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5220 1.5646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4735 1.5646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4735 2.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5220 2.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8698 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2823 2.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2823 0.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1042 2.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3898 2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7793 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7793 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 -1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7793 -2.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 -2.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6712 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2587 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4338 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0213 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1571 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 24 1 4 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 4 0 0 0
4 7 1 4 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
2 11 1 0 0 0 0
11 12 1 0 0 0 0
5 13 1 0 0 0 0
8 19 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
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
2 23 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
3 24 2 0 0 0 0
S SKP 5
ID LBF18107HO02
FORMULA C18H34O6
EXACTMASS 346.23553882
AVERAGEMASS 346.45896
SMILES CCCCCC(OO)C=CC(O)C(O)CCCCCCCC(O)=O
M END
