Mol:LBF20406SF06
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 32 0 0 0 0 0 0 0 0999 V2000 | + | 33 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 10.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3301 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3301 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.1961 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1961 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1961 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1961 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1961 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1961 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 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 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 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 |
| − | 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 |
| − | 1 16 1 0 0 0 0 | + | 1 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 10 21 1 6 0 0 0 | + | 10 21 1 6 0 0 0 |
| − | 11 28 1 6 0 0 0 | + | 11 28 1 6 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 15 30 2 0 0 0 0 | + | 15 30 2 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 25 32 2 0 0 0 0 | + | 25 32 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 33 2 0 0 0 0 | + | 26 33 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20406SF06 | + | ID LBF20406SF06 |
| − | FORMULA C25H39NO6S | + | FORMULA C25H39NO6S |
| − | EXACTMASS 481.249808675 | + | EXACTMASS 481.249808675 |
| − | AVERAGEMASS 481.6463 | + | AVERAGEMASS 481.6463 |
| − | SMILES C(C=CC=CCC=CCCCCC)=C[C@H]([C@H](CCCC(O)=O)O)SC[C@@H](C(O)=O)NC(C)=O | + | SMILES C(C=CC=CCC=CCCCCC)=C[C@H]([C@H](CCCC(O)=O)O)SC[C@@H](C(O)=O)NC(C)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 32 0 0 0 0 0 0 0 0999 V2000
10.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1961 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1961 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1961 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 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 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
1 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
19 20 1 0 0 0 0
10 21 1 6 0 0 0
11 28 1 6 0 0 0
21 22 1 0 0 0 0
23 22 1 0 0 0 0
23 24 1 1 0 0 0
23 25 1 0 0 0 0
15 29 1 0 0 0 0
15 30 2 0 0 0 0
25 31 1 0 0 0 0
25 32 2 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
26 33 2 0 0 0 0
S SKP 5
ID LBF20406SF06
FORMULA C25H39NO6S
EXACTMASS 481.249808675
AVERAGEMASS 481.6463
SMILES C(C=CC=CCC=CCCCCC)=C[C@H]([C@H](CCCC(O)=O)O)SC[C@@H](C(O)=O)NC(C)=O
M END
