Mol:LBF21307PG01
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 |
| − | 7.4801 -0.3430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.4801 -0.3430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.1711 -1.2941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1711 -1.2941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.9801 -1.8818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.9801 -1.8818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.7891 -1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7891 -1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4801 -0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4801 -0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2200 -1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2200 -1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8923 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8923 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0121 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0121 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2991 1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2991 1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7113 2.1886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.7113 2.1886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.1235 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1235 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5302 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5302 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9425 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9425 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3492 5.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3492 5.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7614 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7614 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0611 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0611 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8532 -3.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8532 -3.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9021 -4.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 -4.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 -5.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 -5.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 -5.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 -5.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5203 2.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5203 2.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9801 -2.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9801 -2.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0679 0.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0679 0.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9023 1.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9023 1.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 -6.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 -6.4427 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 |
| − | 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 |
| − | 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 |
| − | 3 22 1 6 0 0 0 | + | 3 22 1 6 0 0 0 |
| − | 5 23 2 0 0 0 0 | + | 5 23 2 0 0 0 0 |
| − | 8 16 2 0 0 0 0 | + | 8 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 |
| − | 10 24 1 1 0 0 0 | + | 10 24 1 1 0 0 0 |
| − | 10 21 1 6 0 0 0 | + | 10 21 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 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF21307PG01 | + | ID LBF21307PG01 |
| − | FORMULA C21H34O5 | + | FORMULA C21H34O5 |
| − | EXACTMASS 366.240624198 | + | EXACTMASS 366.240624198 |
| − | AVERAGEMASS 366.49166 | + | AVERAGEMASS 366.49166 |
| − | SMILES C(=C[C@H]([C@H]1CC=CCCCC(O)=O)C(C[C@@H]1O)=O)[C@](C)(O)CCCCC | + | SMILES C(=C[C@H]([C@H]1CC=CCCCC(O)=O)C(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
7.4801 -0.3430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1711 -1.2941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9801 -1.8818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7891 -1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4801 -0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2200 -1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8923 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0121 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2991 1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7113 2.1886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.1235 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5302 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9425 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3492 5.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7614 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0611 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 -3.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 -4.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -5.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -5.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5203 2.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9801 -2.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0679 0.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9023 1.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 -6.4427 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
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
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
3 22 1 6 0 0 0
5 23 2 0 0 0 0
8 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
10 24 1 1 0 0 0
10 21 1 6 0 0 0
20 25 1 0 0 0 0
20 26 2 0 0 0 0
S SKP 5
ID LBF21307PG01
FORMULA C21H34O5
EXACTMASS 366.240624198
AVERAGEMASS 366.49166
SMILES C(=C[C@H]([C@H]1CC=CCCCC(O)=O)C(C[C@@H]1O)=O)[C@](C)(O)CCCCC
M END
