Mol:LBF18106EO02
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 22 0 0 1 0 0 0 0 0999 V2000 | + | 22 22 0 0 1 0 0 0 0 0999 V2000 |
| − | -4.2386 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2386 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1232 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1232 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4733 1.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.4733 1.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5075 1.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5075 1.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.4299 1.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.4299 1.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.9206 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9206 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4733 2.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4733 2.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8261 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8261 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2386 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2386 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2386 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2386 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3232 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3232 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7357 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7357 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3232 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3232 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7357 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7357 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3232 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3232 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7357 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7357 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3232 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3232 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6566 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6566 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2442 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2442 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4192 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4192 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0067 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0067 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1232 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1232 1.7861 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 |
| − | 4 6 1 4 0 0 0 | + | 4 6 1 4 0 0 0 |
| − | 5 6 1 4 0 0 0 | + | 5 6 1 4 0 0 0 |
| − | 3 7 1 4 0 0 0 | + | 3 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 |
| − | 5 11 1 0 0 0 0 | + | 5 11 1 0 0 0 0 |
| − | 8 17 1 0 0 0 0 | + | 8 17 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 |
| − | 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 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 |
| − | 2 22 2 0 0 0 0 | + | 2 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18106EO02 | + | ID LBF18106EO02 |
| − | FORMULA C18H32O4 | + | FORMULA C18H32O4 |
| − | EXACTMASS 312.23005951199997 | + | EXACTMASS 312.23005951199997 |
| − | AVERAGEMASS 312.44428 | + | AVERAGEMASS 312.44428 |
| − | SMILES C(C(C(O)C=CCCCCC)1)(CCCCCCCC(O)=O)O1 | + | SMILES C(C(C(O)C=CCCCCC)1)(CCCCCCCC(O)=O)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
-4.2386 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1232 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4733 1.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5075 1.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4299 1.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9206 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4733 2.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8261 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2386 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2386 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3232 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7357 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3232 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7357 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3232 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7357 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3232 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6566 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2442 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4192 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0067 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1232 1.7861 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
4 6 1 4 0 0 0
5 6 1 4 0 0 0
3 7 1 4 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
5 11 1 0 0 0 0
8 17 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
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
1 18 1 0 0 0 0
2 21 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
2 22 2 0 0 0 0
S SKP 5
ID LBF18106EO02
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES C(C(C(O)C=CCCCCC)1)(CCCCCCCC(O)=O)O1
M END
