Mol:LBPR01070223
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 23 0 0 0 0 0 0 0 0999 V2000 | + | 24 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -5.4662 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4662 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7428 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7428 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0195 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0195 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2962 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2962 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5729 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5729 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8495 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8495 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1262 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1262 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4029 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4029 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3205 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3205 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0438 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0438 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7671 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7671 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4904 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4904 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2138 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2138 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9371 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9371 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6604 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6604 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3837 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3837 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7428 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7428 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8495 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8495 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7671 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7671 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6604 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6604 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4662 -1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4662 -1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3837 1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3837 1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1806 0.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1806 0.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1806 -0.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1806 -0.0044 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 2 0 0 0 0 | + | 2 3 2 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 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 2 17 1 0 0 0 0 | + | 2 17 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 1 21 2 0 0 0 0 | + | 1 21 2 0 0 0 0 |
| − | 16 22 2 0 0 0 0 | + | 16 22 2 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBPR01070223 | + | ID LBPR01070223 |
| − | FORMULA C20H24O4 | + | FORMULA C20H24O4 |
| − | EXACTMASS 328.167459256 | + | EXACTMASS 328.167459256 |
| − | AVERAGEMASS 328.40216 | + | AVERAGEMASS 328.40216 |
| − | SMILES CC(=CC=CC(=CC=CC=C(C=CC=C(C)C(O)=O)C)C)C(O)=O | + | SMILES CC(=CC=CC(=CC=CC=C(C=CC=C(C)C(O)=O)C)C)C(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
-5.4662 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7428 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0195 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2962 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5729 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8495 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1262 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4029 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3205 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0438 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7671 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4904 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2138 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9371 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6604 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3837 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7428 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8495 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7671 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6604 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4662 -1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3837 1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1806 0.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1806 -0.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
2 17 1 0 0 0 0
6 18 1 0 0 0 0
11 19 1 0 0 0 0
15 20 1 0 0 0 0
1 21 2 0 0 0 0
16 22 2 0 0 0 0
1 23 1 0 0 0 0
16 24 1 0 0 0 0
S SKP 5
ID LBPR01070223
FORMULA C20H24O4
EXACTMASS 328.167459256
AVERAGEMASS 328.40216
SMILES CC(=CC=CC(=CC=CC=C(C=CC=C(C)C(O)=O)C)C)C(O)=O
M END
