Mol:LBST03010027
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 33 0 0 0 0 0 0 0 0999 V2000 | + | 29 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.6950 2.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6950 2.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5140 4.6886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5140 4.6886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.9152 5.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9152 5.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4975 5.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4975 5.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6785 3.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6785 3.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2773 2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2773 2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0797 2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0797 2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5445 0.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.5445 0.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.6785 0.1144 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 7.6785 0.1144 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 6.8125 0.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.8125 0.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.8125 -0.3856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.8125 -0.3856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.8125 -1.3855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.8125 -1.3855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.6785 -1.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6785 -1.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5445 -1.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5445 -1.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5445 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5445 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8615 -0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8615 -0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2737 -0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2737 -0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8615 -1.6945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.8615 -1.6945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.8125 -2.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8125 -2.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2653 -3.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2653 -3.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5743 -2.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5743 -2.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5525 -2.6456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5525 -2.6456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.6473 -5.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 -5.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 -4.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 -4.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2872 -4.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.2872 -4.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -5.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -5.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2216 -3.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2216 -3.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6180 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6180 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6005 5.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6005 5.0954 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 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 8 7 1 1 0 0 0 | + | 8 7 1 1 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 10 6 1 1 0 0 0 | + | 10 6 1 1 0 0 0 |
| − | 9 11 1 4 0 0 0 | + | 9 11 1 4 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 6 0 0 0 | + | 12 13 1 6 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 |
| − | 9 15 1 0 0 0 0 | + | 9 15 1 0 0 0 0 |
| − | 11 16 1 1 0 0 0 | + | 11 16 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 18 17 1 1 0 0 0 | + | 18 17 1 1 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 12 19 1 1 0 0 0 | + | 12 19 1 1 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 22 27 1 6 0 0 0 | + | 22 27 1 6 0 0 0 |
| − | 25 28 1 1 0 0 0 | + | 25 28 1 1 0 0 0 |
| − | 2 29 1 1 0 0 0 | + | 2 29 1 1 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03010027 | + | ID LBST03010027 |
| − | FORMULA C28H44O | + | FORMULA C28H44O |
| − | EXACTMASS 396.33921603 | + | EXACTMASS 396.33921603 |
| − | AVERAGEMASS 396.64835999999997 | + | AVERAGEMASS 396.64835999999997 |
| − | SMILES C(C2)(=C([C@H](C([C@@H]45)3CCC[C@]4(C)[C@@H]([C@@H](C=C[C@@H](C(C)C)C)C)CC5)[C@@H]23)1)CC[C@H](O)C1 | + | SMILES C(C2)(=C([C@H](C([C@@H]45)3CCC[C@]4(C)[C@@H]([C@@H](C=C[C@@H](C(C)C)C)C)CC5)[C@@H]23)1)CC[C@H](O)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
4.6950 2.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5140 4.6886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9152 5.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4975 5.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6785 3.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2773 2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0797 2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5445 0.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.6785 0.1144 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.8125 0.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8125 -0.3856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8125 -1.3855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6785 -1.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5445 -1.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5445 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8615 -0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2737 -0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8615 -1.6945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8125 -2.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2653 -3.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5743 -2.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5525 -2.6456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6473 -5.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 -4.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 -4.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 -5.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2216 -3.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6180 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6005 5.0954 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 6 2 0 0 0 0
1 6 1 0 0 0 0
5 7 1 0 0 0 0
8 7 1 1 0 0 0
10 9 1 0 0 0 0
10 6 1 1 0 0 0
9 11 1 4 0 0 0
11 12 1 0 0 0 0
12 13 1 6 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
9 15 1 0 0 0 0
11 16 1 1 0 0 0
16 17 1 0 0 0 0
18 17 1 1 0 0 0
12 18 1 0 0 0 0
8 10 1 0 0 0 0
12 19 1 1 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
20 25 1 0 0 0 0
24 26 1 0 0 0 0
18 22 1 0 0 0 0
22 27 1 6 0 0 0
25 28 1 1 0 0 0
2 29 1 1 0 0 0
8 9 1 0 0 0 0
S SKP 5
ID LBST03010027
FORMULA C28H44O
EXACTMASS 396.33921603
AVERAGEMASS 396.64835999999997
SMILES C(C2)(=C([C@H](C([C@@H]45)3CCC[C@]4(C)[C@@H]([C@@H](C=C[C@@H](C(C)C)C)C)CC5)[C@@H]23)1)CC[C@H](O)C1
M END
