Mol:LBF20306HO04
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 22 0 0 1 0 0 0 0 0999 V2000 | + | 23 22 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.9813 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9813 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2663 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2663 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5527 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5527 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5527 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5527 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2663 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2663 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9813 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9813 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8391 -0.4111 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.8391 -0.4111 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.1254 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1254 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4118 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4118 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7277 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7277 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0141 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0141 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4132 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4132 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4132 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4132 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1268 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1268 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8404 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8404 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5540 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5540 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2677 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2677 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9813 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9813 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8391 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8391 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1268 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1268 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1268 -0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1268 -0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8413 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8413 1.2361 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 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 6 2 0 0 0 0 | + | 1 6 2 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 |
| − | 4 10 2 0 0 0 0 | + | 4 10 2 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 |
| − | 9 14 2 0 0 0 0 | + | 9 14 2 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 |
| − | 7 20 1 6 0 0 0 | + | 7 20 1 6 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20306HO04 | + | ID LBF20306HO04 |
| − | FORMULA C20H32O3 | + | FORMULA C20H32O3 |
| − | EXACTMASS 320.23514489 | + | EXACTMASS 320.23514489 |
| − | AVERAGEMASS 320.46628 | + | AVERAGEMASS 320.46628 |
| − | SMILES C(CC=CCC(C=CC=CCC=CCCCC(O)=O)O)CCC | + | SMILES C(CC=CCC(C=CC=CCC=CCCCC(O)=O)O)CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-3.9813 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2663 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5527 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5527 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2663 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9813 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8391 -0.4111 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1254 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4118 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0141 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4132 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4132 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1268 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8404 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5540 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2677 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9813 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8391 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1268 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1268 -0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8413 1.2361 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
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 6 2 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
4 10 2 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
9 14 2 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
7 20 1 6 0 0 0
13 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF20306HO04
FORMULA C20H32O3
EXACTMASS 320.23514489
AVERAGEMASS 320.46628
SMILES C(CC=CCC(C=CC=CCC=CCCCC(O)=O)O)CCC
M END
