Mol:LBF21307PG11
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 26 0 0 0 0 0 0 0 0999 V2000 | + | 26 26 0 0 0 0 0 0 0 0999 V2000 |
| − | 9.2937 3.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.2937 3.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.9847 2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.9847 2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.7937 1.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.7937 1.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 10.6028 2.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 10.6028 2.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 10.2937 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2937 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7937 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7937 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0337 2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0337 2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2905 2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2905 2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3395 2.4650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3395 2.4650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.3884 2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3884 2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6453 2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6453 2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 2.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 2.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6598 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6598 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6598 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6598 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5258 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5258 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5258 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5258 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3918 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3918 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3918 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3918 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0304 3.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0304 3.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5538 2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5538 2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6485 1.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6485 1.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7059 4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7059 4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5258 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5258 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2578 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2578 -4.1739 0.0000 O 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 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 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 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 2 7 1 1 0 0 0 | + | 2 7 1 1 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 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 |
| − | 4 22 1 6 0 0 0 | + | 4 22 1 6 0 0 0 |
| − | 9 23 1 1 0 0 0 | + | 9 23 1 1 0 0 0 |
| − | 3 6 1 6 0 0 0 | + | 3 6 1 6 0 0 0 |
| − | 1 24 1 6 0 0 0 | + | 1 24 1 6 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 20 26 2 0 0 0 0 | + | 20 26 2 0 0 0 0 |
| − | 9 21 1 6 0 0 0 | + | 9 21 1 6 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF21307PG11 | + | ID LBF21307PG11 |
| − | FORMULA C21H36O5 | + | FORMULA C21H36O5 |
| − | EXACTMASS 368.256274262 | + | EXACTMASS 368.256274262 |
| − | AVERAGEMASS 368.50754 | + | AVERAGEMASS 368.50754 |
| − | SMILES C(=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)[C@](C)(O)CCCCC | + | SMILES C(=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)[C@](C)(O)CCCCC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 26 0 0 0 0 0 0 0 0999 V2000
9.2937 3.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9847 2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.7937 1.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6028 2.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2937 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7937 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0337 2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2905 2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3395 2.4650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3884 2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 2.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6598 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6598 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5258 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5258 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3918 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3918 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0304 3.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5538 2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6485 1.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7059 4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5258 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2578 -4.1739 0.0000 O 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 0 0 0 0
5 1 1 0 0 0 0
7 8 2 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
13 14 1 0 0 0 0
2 7 1 1 0 0 0
6 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
4 22 1 6 0 0 0
9 23 1 1 0 0 0
3 6 1 6 0 0 0
1 24 1 6 0 0 0
20 25 1 0 0 0 0
20 26 2 0 0 0 0
9 21 1 6 0 0 0
S SKP 5
ID LBF21307PG11
FORMULA C21H36O5
EXACTMASS 368.256274262
AVERAGEMASS 368.50754
SMILES C(=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)[C@](C)(O)CCCCC
M END
