Mol:LBF20307PG14
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 -0.7998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.4801 -0.7998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.1711 -1.7508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1711 -1.7508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.9801 -2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9801 -2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7891 -1.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7891 -1.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4801 -0.7998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.4801 -0.7998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.2200 -2.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2200 -2.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0121 -3.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0121 -3.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8923 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8923 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2991 0.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2991 0.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7113 1.7318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.7113 1.7318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.1180 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1180 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5302 3.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5302 3.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9370 4.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9370 4.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3492 5.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3492 5.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7559 6.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7559 6.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0611 -3.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0611 -3.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8532 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8532 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9021 -4.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 -4.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 -5.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 -5.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 -5.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 -5.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9801 -3.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9801 -3.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7168 1.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7168 1.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0679 0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0679 0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1681 6.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1681 6.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -5.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -5.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 -6.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 -6.8995 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 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 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 |
| − | 1 8 1 1 0 0 0 | + | 1 8 1 1 0 0 0 |
| − | 10 22 1 6 0 0 0 | + | 10 22 1 6 0 0 0 |
| − | 3 21 2 0 0 0 0 | + | 3 21 2 0 0 0 0 |
| − | 5 23 1 6 0 0 0 | + | 5 23 1 6 0 0 0 |
| − | 2 6 1 6 0 0 0 | + | 2 6 1 6 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 |
| − | 7 16 2 0 0 0 0 | + | 7 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 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 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 LBF20307PG14 | + | ID LBF20307PG14 |
| − | FORMULA C20H32O6 | + | FORMULA C20H32O6 |
| − | EXACTMASS 368.219888756 | + | EXACTMASS 368.219888756 |
| − | AVERAGEMASS 368.46448 | + | AVERAGEMASS 368.46448 |
| − | SMILES C(CCC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC1=O)O)CO | + | SMILES C(CCC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC1=O)O)CO |
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 -0.7998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1711 -1.7508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9801 -2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7891 -1.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4801 -0.7998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2200 -2.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0121 -3.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8923 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2991 0.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7113 1.7318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1180 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5302 3.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9370 4.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3492 5.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7559 6.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0611 -3.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 -4.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -5.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -5.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9801 -3.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7168 1.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0679 0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1681 6.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 -6.8995 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
1 5 1 0 0 0 0
6 7 1 0 0 0 0
8 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
1 8 1 1 0 0 0
10 22 1 6 0 0 0
3 21 2 0 0 0 0
5 23 1 6 0 0 0
2 6 1 6 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
7 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
15 24 1 0 0 0 0
20 25 1 0 0 0 0
20 26 2 0 0 0 0
S SKP 5
ID LBF20307PG14
FORMULA C20H32O6
EXACTMASS 368.219888756
AVERAGEMASS 368.46448
SMILES C(CCC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC1=O)O)CO
M END
