Mol:LBF22307PG09
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 |
| − | 9.2937 3.8649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.2937 3.8649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.9847 2.9139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.9847 2.9139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.7937 2.3261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.7937 2.3261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 10.6028 2.9139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 10.6028 2.9139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 10.2937 3.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2937 3.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7937 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7937 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0337 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0337 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2905 3.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2905 3.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3395 2.9650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3395 2.9650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.3884 2.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3884 2.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6453 3.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6453 3.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 3.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 3.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 3.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 3.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6598 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6598 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6598 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6598 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5258 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5258 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5258 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5258 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3918 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3918 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3918 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3918 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0304 3.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0304 3.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2578 -4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2578 -4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5538 2.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5538 2.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7059 4.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7059 4.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6485 2.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6485 2.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2578 -3.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2578 -3.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5258 -3.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5258 -3.6739 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 23 1 6 0 0 0 | + | 4 23 1 6 0 0 0 |
| − | 3 6 1 6 0 0 0 | + | 3 6 1 6 0 0 0 |
| − | 9 25 1 6 0 0 0 | + | 9 25 1 6 0 0 0 |
| − | 9 21 1 1 0 0 0 | + | 9 21 1 1 0 0 0 |
| − | 1 24 1 6 0 0 0 | + | 1 24 1 6 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 20 27 2 0 0 0 0 | + | 20 27 2 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF22307PG09 | + | ID LBF22307PG09 |
| − | FORMULA C22H38O5 | + | FORMULA C22H38O5 |
| − | EXACTMASS 382.271924326 | + | EXACTMASS 382.271924326 |
| − | AVERAGEMASS 382.53412000000003 | + | AVERAGEMASS 382.53412000000003 |
| − | SMILES C[C@@](O)(C=C[C@@H]([C@@H]1O)[C@H]([C@H](C1)O)CC=CCCCC(=O)OC)CCCCC | + | SMILES C[C@@](O)(C=C[C@@H]([C@@H]1O)[C@H]([C@H](C1)O)CC=CCCCC(=O)OC)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/
27 27 0 0 0 0 0 0 0 0999 V2000
9.2937 3.8649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9847 2.9139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.7937 2.3261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6028 2.9139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2937 3.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7937 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0337 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2905 3.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3395 2.9650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3884 2.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 3.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 3.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 3.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6598 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6598 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5258 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5258 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3918 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3918 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0304 3.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2578 -4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5538 2.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7059 4.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6485 2.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2578 -3.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5258 -3.6739 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 23 1 6 0 0 0
3 6 1 6 0 0 0
9 25 1 6 0 0 0
9 21 1 1 0 0 0
1 24 1 6 0 0 0
20 26 1 0 0 0 0
20 27 2 0 0 0 0
26 22 1 0 0 0 0
S SKP 5
ID LBF22307PG09
FORMULA C22H38O5
EXACTMASS 382.271924326
AVERAGEMASS 382.53412000000003
SMILES C[C@@](O)(C=C[C@@H]([C@@H]1O)[C@H]([C@H](C1)O)CC=CCCCC(=O)OC)CCCCC
M END
