Mol:LBF237nnPG01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 29 0 0 0 0 0 0 0 0999 V2000 | + | 28 29 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.5827 -0.5418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.5827 -0.5418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.4781 0.4527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.4781 0.4527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6691 -0.9486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.6691 -0.9486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.2213 1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2213 1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4487 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4487 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0134 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0134 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4487 -2.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4487 -2.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3147 -2.5418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.3147 -2.5418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.3147 -3.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3147 -3.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7565 2.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7565 2.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5486 3.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5486 3.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2918 4.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2918 4.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0838 5.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0838 5.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8270 6.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8270 6.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1808 -4.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1808 -4.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1808 -5.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1808 -5.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3147 -5.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3147 -5.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3147 -6.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3147 -6.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1808 -7.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1808 -7.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0468 -6.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0468 -6.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0468 -5.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0468 -5.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0933 1.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0933 1.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1808 -2.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1808 -2.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4612 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4612 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7780 5.7547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7780 5.7547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6191 7.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6191 7.0418 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 |
| − | 3 24 2 0 0 0 0 | + | 3 24 2 0 0 0 0 |
| − | 2 6 1 6 0 0 0 | + | 2 6 1 6 0 0 0 |
| − | 1 7 1 1 0 0 0 | + | 1 7 1 1 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 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 |
| − | 8 12 2 0 0 0 0 | + | 8 12 2 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 |
| − | 10 25 1 6 0 0 0 | + | 10 25 1 6 0 0 0 |
| − | 5 26 1 6 0 0 0 | + | 5 26 1 6 0 0 0 |
| − | 11 17 1 0 0 0 0 | + | 11 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 16 27 2 0 0 0 0 | + | 16 27 2 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF237nnPG01 | + | ID LBF237nnPG01 |
| − | FORMULA C23H30O5 | + | FORMULA C23H30O5 |
| − | EXACTMASS 386.20932407 | + | EXACTMASS 386.20932407 |
| − | AVERAGEMASS 386.48130000000003 | + | AVERAGEMASS 386.48130000000003 |
| − | SMILES C(c(c2)cccc2)C[C@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC(=O)1)O)O | + | SMILES C(c(c2)cccc2)C[C@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC(=O)1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 29 0 0 0 0 0 0 0 0999 V2000
3.5827 -0.5418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4781 0.4527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5000 0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.9486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2213 1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.5418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3147 -3.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 2.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5486 3.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2918 4.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0838 5.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8270 6.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -4.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -5.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -5.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -6.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -7.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -6.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -5.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0933 1.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7780 5.7547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6191 7.0418 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
3 24 2 0 0 0 0
2 6 1 6 0 0 0
1 7 1 1 0 0 0
6 8 1 0 0 0 0
7 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
8 12 2 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
10 25 1 6 0 0 0
5 26 1 6 0 0 0
11 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 18 1 0 0 0 0
16 27 2 0 0 0 0
16 28 1 0 0 0 0
S SKP 5
ID LBF237nnPG01
FORMULA C23H30O5
EXACTMASS 386.20932407
AVERAGEMASS 386.48130000000003
SMILES C(c(c2)cccc2)C[C@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC(=O)1)O)O
M END
