Mol:LBF18106HO02
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 |
| − | -4.3553 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3553 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2106 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2106 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5315 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5315 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5948 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5948 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5464 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5464 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5464 2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5464 2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5948 2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5948 2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7733 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7733 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3609 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3609 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5358 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5358 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1233 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1233 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4398 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4398 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8523 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8523 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4398 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4398 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8523 -0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8523 -0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4398 -1.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4398 -1.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8523 -1.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8523 -1.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4398 -2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4398 -2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9428 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9428 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3553 2.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3553 2.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3553 1.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3553 1.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2106 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2106 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 22 3 1 0 0 0 0 | + | 22 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 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 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 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 |
| − | 5 12 1 0 0 0 0 | + | 5 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 18 17 1 4 0 0 0 | + | 18 17 1 4 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 2 22 2 0 0 0 0 | + | 2 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18106HO02 | + | ID LBF18106HO02 |
| − | FORMULA C18H34O4 | + | FORMULA C18H34O4 |
| − | EXACTMASS 314.24570957599997 | + | EXACTMASS 314.24570957599997 |
| − | AVERAGEMASS 314.46016 | + | AVERAGEMASS 314.46016 |
| − | SMILES CCCCCC=CCC(O)C(O)CCCCCCCC(O)=O | + | SMILES CCCCCC=CCC(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/
22 21 0 0 1 0 0 0 0 0999 V2000
-4.3553 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2106 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5315 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5948 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5464 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5464 2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5948 2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7733 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3609 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5358 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1233 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 -0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 -1.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 -1.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 -2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9428 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3553 2.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3553 1.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2106 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22 3 1 0 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
1 8 1 0 0 0 0
2 11 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
5 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
16 17 1 0 0 0 0
18 17 1 4 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
2 22 2 0 0 0 0
S SKP 5
ID LBF18106HO02
FORMULA C18H34O4
EXACTMASS 314.24570957599997
AVERAGEMASS 314.46016
SMILES CCCCCC=CCC(O)C(O)CCCCCCCC(O)=O
M END
