Mol:LBF22207PG03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 27 0 0 0 0 0 0 0 0999 V2000 | + | 27 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 9.0858 4.1149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.0858 4.1149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.7768 3.1639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.7768 3.1639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.5858 2.5761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.5858 2.5761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 10.3948 3.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.3948 3.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.0858 4.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0858 4.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5858 1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5858 1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8257 2.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8257 2.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0826 3.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0826 3.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1315 3.2150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.1315 3.2150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.3884 3.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3884 3.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4373 3.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4373 3.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 4.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 4.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 3.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 3.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 4.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 4.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4518 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4518 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4518 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4518 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.3179 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3179 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.3179 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3179 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.1839 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.1839 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.1839 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.1839 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.0499 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.0499 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.0499 -4.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.0499 -4.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.3459 2.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3459 2.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9236 2.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9236 2.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4980 4.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4980 4.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.1839 -4.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.1839 -4.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.9159 -4.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.9159 -4.9239 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 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 |
| − | 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 23 2 0 0 0 0 | + | 4 23 2 0 0 0 0 |
| − | 1 25 1 6 0 0 0 | + | 1 25 1 6 0 0 0 |
| − | 3 6 1 6 0 0 0 | + | 3 6 1 6 0 0 0 |
| − | 9 24 1 1 0 0 0 | + | 9 24 1 1 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 22 27 2 0 0 0 0 | + | 22 27 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF22207PG03 | + | ID LBF22207PG03 |
| − | FORMULA C22H38O5 | + | FORMULA C22H38O5 |
| − | EXACTMASS 382.271924326 | + | EXACTMASS 382.271924326 |
| − | AVERAGEMASS 382.53412000000003 | + | AVERAGEMASS 382.53412000000003 |
| − | SMILES C(CCC(O)=O)CCCCC[C@H]([C@@H](C=C[C@H](CCCCC)O)1)C(C[C@@H](O)1)=O | + | SMILES C(CCC(O)=O)CCCCC[C@H]([C@@H](C=C[C@H](CCCCC)O)1)C(C[C@@H](O)1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 27 0 0 0 0 0 0 0 0999 V2000
9.0858 4.1149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7768 3.1639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5858 2.5761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3948 3.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0858 4.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5858 1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8257 2.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 3.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1315 3.2150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3884 3.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4373 3.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 4.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 3.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 -4.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3459 2.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9236 2.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4980 4.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -4.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.9159 -4.9239 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 1 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 23 2 0 0 0 0
1 25 1 6 0 0 0
3 6 1 6 0 0 0
9 24 1 1 0 0 0
20 21 1 0 0 0 0
22 26 1 0 0 0 0
22 27 2 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF22207PG03
FORMULA C22H38O5
EXACTMASS 382.271924326
AVERAGEMASS 382.53412000000003
SMILES C(CCC(O)=O)CCCCC[C@H]([C@@H](C=C[C@H](CCCCC)O)1)C(C[C@@H](O)1)=O
M END
