Mol:LBF18304HP01
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 |
| − | -2.9426 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9426 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6516 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6516 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1428 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1428 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3323 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3323 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4782 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4782 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9976 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9976 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1278 1.7919 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.1278 1.7919 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.1278 0.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1278 0.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4140 0.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4140 0.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5305 1.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5305 1.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9426 2.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9426 2.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9426 1.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9426 1.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7935 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7935 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2057 1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2057 1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7935 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7935 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2057 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2057 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7935 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7935 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2057 -1.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2057 -1.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7935 -2.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7935 -2.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1428 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1428 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3323 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3323 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9976 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9976 1.7919 0.0000 C 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 3 1 4 0 0 0 | + | 7 3 1 4 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 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 10 19 1 0 0 0 0 | + | 10 19 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 |
| − | 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 2 0 0 0 0 | + | 3 20 2 0 0 0 0 |
| − | 4 21 2 0 0 0 0 | + | 4 21 2 0 0 0 0 |
| − | 6 22 2 0 0 0 0 | + | 6 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18304HP01 | + | ID LBF18304HP01 |
| − | FORMULA C18H30O4 | + | FORMULA C18H30O4 |
| − | EXACTMASS 310.21440944799997 | + | EXACTMASS 310.21440944799997 |
| − | AVERAGEMASS 310.4284 | + | AVERAGEMASS 310.4284 |
| − | SMILES CCC(OO)C=CC=CCC=CCCCCCCCC(O)=O | + | SMILES CCC(OO)C=CC=CCC=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
-2.9426 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6516 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1428 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3323 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4782 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9976 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1278 1.7919 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1278 0.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4140 0.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5305 1.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9426 2.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9426 1.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7935 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2057 1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7935 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2057 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7935 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2057 -1.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7935 -2.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1428 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3323 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9976 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
20 21 1 0 0 0 0
4 5 1 0 0 0 0
5 22 1 0 0 0 0
2 7 1 0 0 0 0
7 3 1 4 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
6 13 1 0 0 0 0
10 19 1 0 0 0 0
13 14 1 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
18 19 1 0 0 0 0
3 20 2 0 0 0 0
4 21 2 0 0 0 0
6 22 2 0 0 0 0
S SKP 5
ID LBF18304HP01
FORMULA C18H30O4
EXACTMASS 310.21440944799997
AVERAGEMASS 310.4284
SMILES CCC(OO)C=CC=CCC=CCCCCCCCC(O)=O
M END
