Mol:LBF20406CV02
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | 6.6359 0.4497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.6359 0.4497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3269 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3269 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1359 -1.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1359 -1.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9449 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9449 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6359 0.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6359 0.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3758 -0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3758 -0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6848 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6848 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4769 1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4769 1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5258 2.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5258 2.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3179 3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3179 3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3669 3.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3669 3.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1590 4.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1590 4.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2079 4.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2079 4.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 5.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 5.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1679 -1.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1679 -1.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2168 -2.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2168 -2.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0089 -3.0757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.0089 -3.0757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.0954 -3.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0954 -3.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1999 -4.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1999 -4.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1781 -4.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1781 -4.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5019 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5019 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5019 2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5019 2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1359 -2.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1359 -2.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6359 1.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6359 1.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6781 -3.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6781 -3.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5848 -5.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5848 -5.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3679 1.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3679 1.4497 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 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 2 6 2 0 0 0 0 | + | 2 6 2 0 0 0 0 |
| − | 1 7 1 6 0 0 0 | + | 1 7 1 6 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 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 |
| − | 3 23 2 0 0 0 0 | + | 3 23 2 0 0 0 0 |
| − | 1 24 1 1 0 0 0 | + | 1 24 1 1 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 |
| − | 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 |
| − | 17 16 1 0 0 0 0 | + | 17 16 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 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 17 25 1 6 0 0 0 | + | 17 25 1 6 0 0 0 |
| − | 20 26 2 0 0 0 0 | + | 20 26 2 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 21 27 2 0 0 0 0 | + | 21 27 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20406CV02 | + | ID LBF20406CV02 |
| − | FORMULA C22H28O5 | + | FORMULA C22H28O5 |
| − | EXACTMASS 372.193674006 | + | EXACTMASS 372.193674006 |
| − | AVERAGEMASS 372.45472000000007 | + | AVERAGEMASS 372.45472000000007 |
| − | SMILES CC(=O)O[C@@](CC=CCCCCC)(C=2)C(C(C2)=O)=CC=C[C@H](O1)CCC(=O)1 | + | SMILES CC(=O)O[C@@](CC=CCCCCC)(C=2)C(C(C2)=O)=CC=C[C@H](O1)CCC(=O)1 |
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
6.6359 0.4497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3269 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1359 -1.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9449 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6359 0.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3758 -0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6848 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5258 2.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3179 3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3669 3.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 4.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 4.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 5.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1679 -1.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2168 -2.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0089 -3.0757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0954 -3.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1999 -4.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1781 -4.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5019 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5019 2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1359 -2.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6359 1.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6781 -3.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5848 -5.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3679 1.4497 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 2 0 0 0 0
1 5 1 0 0 0 0
2 6 2 0 0 0 0
1 7 1 6 0 0 0
7 8 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
3 23 2 0 0 0 0
1 24 1 1 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
6 15 1 0 0 0 0
15 16 2 0 0 0 0
17 16 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
20 25 1 0 0 0 0
17 25 1 6 0 0 0
20 26 2 0 0 0 0
24 21 1 0 0 0 0
21 27 2 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF20406CV02
FORMULA C22H28O5
EXACTMASS 372.193674006
AVERAGEMASS 372.45472000000007
SMILES CC(=O)O[C@@](CC=CCCCCC)(C=2)C(C(C2)=O)=CC=C[C@H](O1)CCC(=O)1
M END
