Mol:LBF18207HP03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 25 0 0 1 0 0 0 0 0999 V2000 | + | 25 25 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.1763 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1763 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6263 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6263 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0656 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0656 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5935 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5935 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2185 0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2185 0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8533 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8533 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0023 1.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0023 1.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4591 1.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4591 1.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3949 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3949 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4301 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4301 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2352 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2352 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6680 0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6680 0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2352 -0.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2352 -0.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6680 -1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6680 -1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2352 -1.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2352 -1.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6680 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6680 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7638 0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7638 0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4266 0.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4266 0.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4266 1.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4266 1.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9938 2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9938 2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0664 1.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0664 1.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3169 1.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3169 1.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7650 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7650 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1763 -0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1763 -0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4619 -0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4619 -0.4151 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 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 4 0 0 0 | + | 4 5 1 4 0 0 0 |
| − | 6 5 1 4 0 0 0 | + | 6 5 1 4 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 10 9 1 4 0 0 0 | + | 10 9 1 4 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 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 |
| − | 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 1 4 0 0 0 | + | 3 21 1 4 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 9 23 2 0 0 0 0 | + | 9 23 2 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 16 1 0 0 0 0 | + | 25 16 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18207HP03 | + | ID LBF18207HP03 |
| − | FORMULA C19H32O6 | + | FORMULA C19H32O6 |
| − | EXACTMASS 356.219888756 | + | EXACTMASS 356.219888756 |
| − | AVERAGEMASS 356.45378 | + | AVERAGEMASS 356.45378 |
| − | SMILES C(O1)(CC(C=CC=CCCCCCCCC(=O)OC)O1)C(CC)OO | + | SMILES C(O1)(CC(C=CC=CCCCCCCCC(=O)OC)O1)C(CC)OO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 1 0 0 0 0 0999 V2000
-3.1763 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6263 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0656 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5935 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2185 0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8533 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0023 1.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4591 1.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3949 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4301 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2352 1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6680 0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2352 -0.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6680 -1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2352 -1.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6680 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7638 0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4266 0.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4266 1.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9938 2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0664 1.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3169 1.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7650 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1763 -0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4619 -0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 4 0 0 0
6 5 1 4 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
4 8 1 0 0 0 0
6 23 1 0 0 0 0
10 9 1 4 0 0 0
10 11 2 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
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
3 21 1 4 0 0 0
21 22 1 0 0 0 0
9 23 2 0 0 0 0
17 24 1 0 0 0 0
24 25 1 0 0 0 0
25 16 1 0 0 0 0
S SKP 5
ID LBF18207HP03
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES C(O1)(CC(C=CC=CCCCCCCCC(=O)OC)O1)C(CC)OO
M END
