Mol:LBF20307PG24
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 24 24 0 0 0 0 0 0 0 0999 V2000 |
| − | 8.3292 1.1318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.3292 1.1318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.0202 0.1808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.0202 0.1808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.8292 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8292 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.6382 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6382 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3292 1.1318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.3292 1.1318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.7414 1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7414 1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0692 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0692 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7469 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7469 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1591 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1591 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1646 2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1646 2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5768 3.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5768 3.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5823 3.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5823 3.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9945 4.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9945 4.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8612 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8612 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9102 -1.4154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.9102 -1.4154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.7023 -2.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7023 -2.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7512 -2.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7512 -2.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5433 -3.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5433 -3.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5923 -3.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5923 -3.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3843 -4.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3843 -4.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9170 1.9409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9170 1.9409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1670 -0.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1670 -0.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4013 4.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4013 4.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.9498 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 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 5 21 1 1 0 0 0 | + | 5 21 1 1 0 0 0 |
| − | 1 6 1 1 0 0 0 | + | 1 6 1 1 0 0 0 |
| − | 2 7 1 6 0 0 0 | + | 2 7 1 6 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 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 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 |
| − | 7 14 2 0 0 0 0 | + | 7 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 |
| − | 15 22 1 1 0 0 0 | + | 15 22 1 1 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 13 24 2 0 0 0 0 | + | 13 24 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20307PG24 | + | ID LBF20307PG24 |
| − | FORMULA C20H34O4 | + | FORMULA C20H34O4 |
| − | EXACTMASS 338.24570957599997 | + | EXACTMASS 338.24570957599997 |
| − | AVERAGEMASS 338.48156 | + | AVERAGEMASS 338.48156 |
| − | SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)CC[C@H](O)1)CC | + | SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)CC[C@H](O)1)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 0 0 0 0 0 0999 V2000
8.3292 1.1318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0202 0.1808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8292 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6382 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3292 1.1318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.7414 1.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0692 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7469 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1591 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5768 3.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 3.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 4.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8612 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9102 -1.4154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7023 -2.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7512 -2.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5433 -3.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5923 -3.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3843 -4.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9170 1.9409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1670 -0.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 4.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.9498 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 1 0 0 0 0
5 1 1 0 0 0 0
5 21 1 1 0 0 0
1 6 1 1 0 0 0
2 7 1 6 0 0 0
6 8 1 0 0 0 0
8 9 2 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
7 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 22 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
13 23 1 0 0 0 0
13 24 2 0 0 0 0
S SKP 5
ID LBF20307PG24
FORMULA C20H34O4
EXACTMASS 338.24570957599997
AVERAGEMASS 338.48156
SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)CC[C@H](O)1)CC
M END
