Mol:LBF18108HP01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 23 0 0 1 0 0 0 0 0999 V2000 | + | 23 23 0 0 1 0 0 0 0 0999 V2000 |
| − | -4.2968 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2968 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1232 1.5966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.1232 1.5966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.1716 1.5966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.1716 1.5966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2200 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2200 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4590 1.5966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.4590 1.5966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.7100 2.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7100 2.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6857 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6857 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2733 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2733 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4483 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4483 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0358 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0358 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8843 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8843 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2968 2.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2968 2.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2968 0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2968 0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4589 2.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4589 2.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1734 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1734 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3523 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3523 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7648 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7648 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3523 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3523 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7648 -0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7648 -0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3523 -1.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3523 -1.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7648 -1.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7648 -1.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3523 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3523 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2200 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2200 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 5 4 1 4 0 0 0 | + | 5 4 1 4 0 0 0 |
| − | 2 6 1 4 0 0 0 | + | 2 6 1 4 0 0 0 |
| − | 3 6 1 4 0 0 0 | + | 3 6 1 4 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 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 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 5 14 1 0 0 0 0 | + | 5 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 5 16 1 0 0 0 0 | + | 5 16 1 0 0 0 0 |
| − | 11 22 1 0 0 0 0 | + | 11 22 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 |
| − | 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 |
| − | 4 23 2 0 0 0 0 | + | 4 23 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18108HP01 | + | ID LBF18108HP01 |
| − | FORMULA C18H32O5 | + | FORMULA C18H32O5 |
| − | EXACTMASS 328.224974134 | + | EXACTMASS 328.224974134 |
| − | AVERAGEMASS 328.44368000000003 | + | AVERAGEMASS 328.44368000000003 |
| − | SMILES C(C(C=CC(OO)CCCCCCCC(O)=O)1)(CCCCC)O1 | + | SMILES C(C(C=CC(OO)CCCCCCCC(O)=O)1)(CCCCC)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 1 0 0 0 0 0999 V2000
-4.2968 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1232 1.5966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1716 1.5966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2200 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4590 1.5966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.7100 2.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6857 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2733 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4483 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0358 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8843 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2968 2.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2968 0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4589 2.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1734 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3523 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7648 0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3523 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7648 -0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3523 -1.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7648 -1.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3523 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2200 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 23 1 0 0 0 0
5 4 1 4 0 0 0
2 6 1 4 0 0 0
3 6 1 4 0 0 0
1 7 1 0 0 0 0
2 10 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
11 12 2 0 0 0 0
11 13 1 0 0 0 0
5 14 1 0 0 0 0
14 15 1 0 0 0 0
5 16 1 0 0 0 0
11 22 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
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
4 23 2 0 0 0 0
S SKP 5
ID LBF18108HP01
FORMULA C18H32O5
EXACTMASS 328.224974134
AVERAGEMASS 328.44368000000003
SMILES C(C(C=CC(OO)CCCCCCCC(O)=O)1)(CCCCC)O1
M END
