Mol:LBF18207HP01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 21 0 0 1 0 0 0 0 0999 V2000 | + | 22 21 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.2031 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2031 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1017 1.7340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.1017 1.7340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6259 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6259 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1992 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1992 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7910 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7910 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2031 2.4478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2031 2.4478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2031 1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2031 1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0096 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0096 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4218 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4218 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0096 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0096 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4218 -0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4218 -0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0096 -1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0096 -1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4218 -1.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4218 -1.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0096 -2.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0096 -2.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8976 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8976 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4854 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4854 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6611 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6611 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2490 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2490 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1024 2.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1024 2.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3885 2.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3885 2.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6259 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6259 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1992 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1992 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 21 1 4 0 0 0 | + | 2 21 1 4 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 5 14 1 0 0 0 0 | + | 5 14 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 |
| − | 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 |
| − | 1 15 1 0 0 0 0 | + | 1 15 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 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 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 3 21 2 0 0 0 0 | + | 3 21 2 0 0 0 0 |
| − | 4 22 2 0 0 0 0 | + | 4 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18207HP01 | + | ID LBF18207HP01 |
| − | FORMULA C18H32O4 | + | FORMULA C18H32O4 |
| − | EXACTMASS 312.23005951199997 | + | EXACTMASS 312.23005951199997 |
| − | AVERAGEMASS 312.44428 | + | AVERAGEMASS 312.44428 |
| − | SMILES CCCCCC(OO)C=CC=CCCCCCCCC(O)=O | + | SMILES CCCCCC(OO)C=CC=CCCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.2031 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1017 1.7340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6259 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1992 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7910 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2031 2.4478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2031 1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4218 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4218 -0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 -1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4218 -1.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 -2.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8976 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4854 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6611 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2490 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1024 2.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3885 2.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6259 1.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1992 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 21 1 4 0 0 0
3 22 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
4 8 1 0 0 0 0
5 14 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
12 13 1 0 0 0 0
13 14 1 0 0 0 0
1 15 1 0 0 0 0
2 18 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
2 19 1 0 0 0 0
19 20 1 0 0 0 0
3 21 2 0 0 0 0
4 22 2 0 0 0 0
S SKP 5
ID LBF18207HP01
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCCC(OO)C=CC=CCCCCCCCC(O)=O
M END
