Mol:LBF18206HP03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 21 0 0 1 0 0 0 0 0999 V2000 | + | 22 21 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.4064 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4064 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3622 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3622 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5365 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5365 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0894 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0894 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4451 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4451 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5372 2.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5372 2.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1773 2.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1773 2.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2417 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2417 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6543 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6543 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2417 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2417 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6543 -0.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6543 -0.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2417 -1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2417 -1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6543 -1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6543 -1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2417 -2.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2417 -2.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9939 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9939 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4064 2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4064 2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4064 1.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4064 1.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1297 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1297 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7172 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7172 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8922 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8922 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3622 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3622 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4451 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4451 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21 3 1 0 0 0 0 | + | 21 3 1 0 0 0 0 |
| − | 3 4 1 4 0 0 0 | + | 3 4 1 4 0 0 0 |
| − | 22 4 1 4 0 0 0 | + | 22 4 1 4 0 0 0 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 5 8 1 0 0 0 0 | + | 5 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 |
| − | 14 13 1 4 0 0 0 | + | 14 13 1 4 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 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 |
| − | 2 21 2 0 0 0 0 | + | 2 21 2 0 0 0 0 |
| − | 5 22 2 0 0 0 0 | + | 5 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18206HP03 | + | ID LBF18206HP03 |
| − | FORMULA C18H32O4 | + | FORMULA C18H32O4 |
| − | EXACTMASS 312.23005951199997 | + | EXACTMASS 312.23005951199997 |
| − | AVERAGEMASS 312.44428 | + | AVERAGEMASS 312.44428 |
| − | SMILES CCCCC=CC(OO)CC=CCCCCCCCC(O)=O | + | SMILES CCCCC=CC(OO)CC=CCCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.4064 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3622 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5365 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0894 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4451 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5372 2.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1773 2.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6543 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6543 -0.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 -1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6543 -1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 -2.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9939 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4064 2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4064 1.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1297 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7172 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8922 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3622 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4451 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 3 1 0 0 0 0
3 4 1 4 0 0 0
22 4 1 4 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
5 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
14 13 1 4 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
1 18 1 0 0 0 0
2 20 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 2 0 0 0 0
5 22 2 0 0 0 0
S SKP 5
ID LBF18206HP03
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCC=CC(OO)CC=CCCCCCCCC(O)=O
M END
