Mol:LBF227nnPG01
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 27 28 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.7601 0.9741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7601 0.9741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5691 1.5618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5691 1.5618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.2601 2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2601 2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2601 2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2601 2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 1.5618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.9511 1.5618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5691 1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5691 1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 -0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7601 -0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0691 2.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0691 2.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6261 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6261 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6261 -1.5259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.6261 -1.5259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4921 -2.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4921 -2.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4921 -3.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4921 -3.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0691 2.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0691 2.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5691 3.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5691 3.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5691 3.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5691 3.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0691 4.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0691 4.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.0691 4.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0691 4.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6261 -3.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6261 -3.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6261 -4.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6261 -4.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4921 -5.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4921 -5.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3581 -4.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3581 -4.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3581 -3.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3581 -3.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8479 3.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8479 3.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 -2.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7601 -2.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.2528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.2528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5691 3.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5691 3.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5691 5.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5691 5.0259 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 23 2 0 0 0 0 | + | 3 23 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 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 8 13 2 0 0 0 0 | + | 8 13 2 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 10 24 1 6 0 0 0 | + | 10 24 1 6 0 0 0 |
| − | 5 25 1 6 0 0 0 | + | 5 25 1 6 0 0 0 |
| − | 12 18 2 0 0 0 0 | + | 12 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 12 1 0 0 0 0 | + | 22 12 1 0 0 0 0 |
| − | 17 26 1 0 0 0 0 | + | 17 26 1 0 0 0 0 |
| − | 17 27 2 0 0 0 0 | + | 17 27 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF227nnPG01 | + | ID LBF227nnPG01 |
| − | FORMULA C22H28O5 | + | FORMULA C22H28O5 |
| − | EXACTMASS 372.193674006 | + | EXACTMASS 372.193674006 |
| − | AVERAGEMASS 372.45472000000007 | + | AVERAGEMASS 372.45472000000007 |
| − | SMILES O[C@@H](Cc(c2)cccc2)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC(=O)1)O | + | SMILES O[C@@H](Cc(c2)cccc2)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC(=O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 28 0 0 0 0 0 0 0 0999 V2000
3.7601 0.9741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5691 1.5618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2601 2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 1.5618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5691 1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0691 2.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -1.5259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4921 -2.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 -3.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0691 2.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5691 3.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5691 3.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0691 4.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0691 4.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -3.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -4.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 -5.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3581 -4.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3581 -3.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 3.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -2.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5691 3.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5691 5.0259 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 23 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
11 12 1 0 0 0 0
8 13 2 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
16 17 1 0 0 0 0
10 24 1 6 0 0 0
5 25 1 6 0 0 0
12 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 12 1 0 0 0 0
17 26 1 0 0 0 0
17 27 2 0 0 0 0
S SKP 5
ID LBF227nnPG01
FORMULA C22H28O5
EXACTMASS 372.193674006
AVERAGEMASS 372.45472000000007
SMILES O[C@@H](Cc(c2)cccc2)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC(=O)1)O
M END
