Mol:LBF18203EO02
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 |
| − | -5.2671 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2671 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6852 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6852 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6376 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6376 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9877 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9877 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9490 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9490 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0265 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0265 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8377 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8377 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8764 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8764 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5357 2.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5357 2.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4376 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4376 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8501 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8501 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4376 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4376 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8501 -0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8501 -0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4376 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4376 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8501 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8501 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4376 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4376 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8547 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8547 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2671 0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2671 0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2671 2.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2671 2.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8547 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8547 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6376 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6376 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8764 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8764 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 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 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 22 7 1 4 0 0 0 | + | 22 7 1 4 0 0 0 |
| − | 5 9 1 4 0 0 0 | + | 5 9 1 4 0 0 0 |
| − | 6 9 1 4 0 0 0 | + | 6 9 1 4 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 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 |
| − | 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 |
| − | 16 15 1 4 0 0 0 | + | 16 15 1 4 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 3 21 2 0 0 0 0 | + | 3 21 2 0 0 0 0 |
| − | 8 22 2 0 0 0 0 | + | 8 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18203EO02 | + | ID LBF18203EO02 |
| − | FORMULA C19H32O3 | + | FORMULA C19H32O3 |
| − | EXACTMASS 308.23514489 | + | EXACTMASS 308.23514489 |
| − | AVERAGEMASS 308.45558 | + | AVERAGEMASS 308.45558 |
| − | SMILES C(C(CC=CCCCCCCCC(=O)OC)1)(CC=CCC)O1 | + | SMILES C(C(CC=CCCCCCCCC(=O)OC)1)(CC=CCC)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
-5.2671 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6852 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6376 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9877 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9490 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0265 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8377 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8764 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5357 2.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4376 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8501 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4376 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8501 -0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4376 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8501 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4376 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8547 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2671 0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2671 2.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8547 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6376 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8764 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 21 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
22 7 1 4 0 0 0
5 9 1 4 0 0 0
6 9 1 4 0 0 0
8 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
13 14 1 0 0 0 0
14 15 1 0 0 0 0
16 15 1 4 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
3 21 2 0 0 0 0
8 22 2 0 0 0 0
S SKP 5
ID LBF18203EO02
FORMULA C19H32O3
EXACTMASS 308.23514489
AVERAGEMASS 308.45558
SMILES C(C(CC=CCCCCCCCC(=O)OC)1)(CC=CCC)O1
M END
