Mol:LBPR01040039
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 23 0 0 0 0 0 0 0 0999 V2000 | + | 23 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.9297 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9297 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9297 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9297 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5005 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5005 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5005 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5005 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7452 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7452 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6849 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6849 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7859 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7859 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7859 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7859 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0713 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0713 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3567 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3567 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3567 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3567 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3567 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3567 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0713 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0713 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7859 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7859 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5005 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5005 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5005 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5005 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2150 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2150 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2150 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2150 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9297 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9297 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5005 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5005 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0713 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0713 1.4438 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 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 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 |
| − | 12 14 2 0 0 0 0 | + | 12 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 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 |
| − | 17 19 2 0 0 0 0 | + | 17 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 13 23 2 0 0 0 0 | + | 13 23 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBPR01040039 | + | ID LBPR01040039 |
| − | FORMULA C20H26O3 | + | FORMULA C20H26O3 |
| − | EXACTMASS 314.18819469799996 | + | EXACTMASS 314.18819469799996 |
| − | AVERAGEMASS 314.41864 | + | AVERAGEMASS 314.41864 |
| − | SMILES C(C1(C)C)(C=CC(C=O)=CC=CC(C)=CC(O)=O)=C(C)CCC1 | + | SMILES C(C1(C)C)(C=CC(C=O)=CC=CC(C)=CC(O)=O)=C(C)CCC1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 0 0 0 0 0 0999 V2000
-3.9297 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9297 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7452 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6849 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7859 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7859 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0713 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3567 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3567 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3567 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0713 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7859 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9297 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0713 1.4438 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
5 6 1 0 0 0 0
1 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
5 9 1 0 0 0 0
4 10 1 0 0 0 0
9 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
13 23 2 0 0 0 0
S SKP 5
ID LBPR01040039
FORMULA C20H26O3
EXACTMASS 314.18819469799996
AVERAGEMASS 314.41864
SMILES C(C1(C)C)(C=CC(C=O)=CC=CC(C)=CC(O)=O)=C(C)CCC1
M END
