Mol:LBF20307PG07
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 25 0 0 0 0 0 0 0 0999 V2000 | + | 25 25 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.9641 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9641 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6551 2.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.6551 2.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.2731 2.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.2731 2.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.9641 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9641 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2242 2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2242 2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9673 2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9673 2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.6739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.6739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9184 2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9184 2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.6615 3.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6615 3.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6126 2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6126 2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.3557 3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3557 3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3068 3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3068 3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7040 2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7040 2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5519 4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5519 4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.5147 2.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.5147 2.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.0499 3.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.0499 3.8543 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 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 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 |
| − | 4 6 1 6 0 0 0 | + | 4 6 1 6 0 0 0 |
| − | 2 21 1 6 0 0 0 | + | 2 21 1 6 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 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 |
| − | 3 8 1 1 0 0 0 | + | 3 8 1 1 0 0 0 |
| − | 10 22 1 6 0 0 0 | + | 10 22 1 6 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 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 |
| − | 5 23 2 0 0 0 0 | + | 5 23 2 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 17 25 2 0 0 0 0 | + | 17 25 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20307PG07 | + | ID LBF20307PG07 |
| − | FORMULA C20H32O5 | + | FORMULA C20H32O5 |
| − | EXACTMASS 352.224974134 | + | EXACTMASS 352.224974134 |
| − | AVERAGEMASS 352.46508 | + | AVERAGEMASS 352.46508 |
| − | SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC1=O)O)CC | + | SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC1=O)O)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 0 0 0 0 0 0999 V2000
4.9641 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 2.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 1.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2731 2.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9641 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2242 2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9673 2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9184 2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6615 3.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6126 2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3557 3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3068 3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7040 2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5519 4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5147 2.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 3.8543 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
1 5 1 0 0 0 0
6 7 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
4 6 1 6 0 0 0
2 21 1 6 0 0 0
7 13 2 0 0 0 0
13 14 1 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
3 8 1 1 0 0 0
10 22 1 6 0 0 0
12 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
5 23 2 0 0 0 0
17 24 1 0 0 0 0
17 25 2 0 0 0 0
S SKP 5
ID LBF20307PG07
FORMULA C20H32O5
EXACTMASS 352.224974134
AVERAGEMASS 352.46508
SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC1=O)O)CC
M END
