Mol:LBF20205PG01
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | 6.2859 2.5777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.2859 2.5777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4769 1.9899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4769 1.9899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.7859 1.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.7859 1.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.7859 1.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.7859 1.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.9769 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9769 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1981 0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1981 0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6049 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6049 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0171 -1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0171 -1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4238 -2.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4238 -2.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8360 -3.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8360 -3.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2428 -4.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2428 -4.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6550 -4.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6550 -4.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5258 2.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5258 2.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3179 3.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3179 3.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3669 3.5861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.3669 3.5861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.1590 4.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1590 4.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2079 4.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2079 4.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 5.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 5.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5949 1.6266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5949 1.6266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2859 2.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2859 2.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6237 2.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6237 2.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6605 -4.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6605 -4.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0617 -5.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0617 -5.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 20 1 6 0 0 0 | + | 1 20 1 6 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 4 19 1 6 0 0 0 | + | 4 19 1 6 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 |
| − | 3 6 1 6 0 0 0 | + | 3 6 1 6 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
| − | 2 13 1 1 0 0 0 | + | 2 13 1 1 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 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 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 15 21 1 6 0 0 0 | + | 15 21 1 6 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 12 23 2 0 0 0 0 | + | 12 23 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20205PG01 | + | ID LBF20205PG01 |
| − | FORMULA C18H30O5 | + | FORMULA C18H30O5 |
| − | EXACTMASS 326.20932407 | + | EXACTMASS 326.20932407 |
| − | AVERAGEMASS 326.4278 | + | AVERAGEMASS 326.4278 |
| − | SMILES [C@@H]([C@@H]2CCCCCCC(O)=O)(O1)C[C@H]([C@@H]2C=C[C@H](O)CCC)O1 | + | SMILES [C@@H]([C@@H]2CCCCCCC(O)=O)(O1)C[C@H]([C@@H]2C=C[C@H](O)CCC)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
6.2859 2.5777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4769 1.9899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7859 1.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7859 1.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9769 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1981 0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6049 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0171 -1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4238 -2.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8360 -3.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2428 -4.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6550 -4.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5258 2.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3179 3.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3669 3.5861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1590 4.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 4.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 5.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5949 1.6266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2859 2.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6237 2.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6605 -4.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0617 -5.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 6 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
19 20 1 0 0 0 0
4 19 1 6 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
1 5 1 0 0 0 0
3 6 1 6 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 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
2 13 1 1 0 0 0
13 14 2 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
17 18 1 0 0 0 0
15 21 1 6 0 0 0
12 22 1 0 0 0 0
12 23 2 0 0 0 0
S SKP 5
ID LBF20205PG01
FORMULA C18H30O5
EXACTMASS 326.20932407
AVERAGEMASS 326.4278
SMILES [C@@H]([C@@H]2CCCCCCC(O)=O)(O1)C[C@H]([C@@H]2C=C[C@H](O)CCC)O1
M END
