Mol:LBF20303SC01
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 0 0 0 0 0 0999 V2000 | + | 22 21 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.5227 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5227 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0948 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0948 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6998 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6998 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0948 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0948 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9727 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9727 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4227 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4227 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9277 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9277 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4602 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4602 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0202 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0202 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5527 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5527 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1127 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1127 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3548 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3548 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7673 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7673 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2623 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2623 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6473 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6473 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1423 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1423 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5823 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5823 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9673 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9673 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4073 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4073 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8748 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8748 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2873 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2873 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6998 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6998 -0.6291 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 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 4 2 0 0 0 0 | + | 2 4 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 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 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 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 |
| − | 20 19 2 0 0 0 0 | + | 20 19 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 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 LBF20303SC01 | + | ID LBF20303SC01 |
| − | FORMULA C20H34O2 | + | FORMULA C20H34O2 |
| − | EXACTMASS 306.255880332 | + | EXACTMASS 306.255880332 |
| − | AVERAGEMASS 306.48276000000004 | + | AVERAGEMASS 306.48276000000004 |
| − | SMILES C(CC=CCC=CCCCCCCCCCC(O)=O)=CCC | + | SMILES C(CC=CCC=CCCCCCCCCCC(O)=O)=CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
3.5227 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0948 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6998 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0948 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9727 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4227 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9277 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4602 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0202 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5527 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1127 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3548 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7673 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2623 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6473 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1423 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5823 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9673 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4073 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8748 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2873 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6998 -0.6291 0.0000 C 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
2 4 2 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 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
12 13 1 0 0 0 0
13 14 2 0 0 0 0
15 14 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
20 19 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF20303SC01
FORMULA C20H34O2
EXACTMASS 306.255880332
AVERAGEMASS 306.48276000000004
SMILES C(CC=CCC=CCCCCCCCCCC(O)=O)=CCC
M END
