Mol:LBST03020094
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.5981 4.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 4.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 5.0439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 5.0439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 4.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 4.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.5439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.5439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 3.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 3.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 2.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.5439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.5439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 0.0439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.0439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 0.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 0.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5870 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5870 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9937 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9937 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9882 -0.9342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.9882 -0.9342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.6574 -1.6774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.6574 -1.6774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0175 -3.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0175 -3.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3484 -2.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3484 -2.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6355 -1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6355 -1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7085 -4.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7085 -4.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3776 -5.0658 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 8.3776 -5.0658 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 10.5576 -5.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5576 -5.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5855 -6.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5855 -6.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 6.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 6.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3287 -5.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3287 -5.3748 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 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 5 7 2 0 0 0 0 | + | 5 7 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 6 9 2 0 0 0 0 | + | 6 9 2 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 13 14 1 6 0 0 0 | + | 13 14 1 6 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 11 15 1 0 0 0 0 | + | 11 15 1 0 0 0 0 |
| − | 12 16 1 1 0 0 0 | + | 12 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 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 13 20 1 1 0 0 0 | + | 13 20 1 1 0 0 0 |
| − | 2 28 1 6 0 0 0 | + | 2 28 1 6 0 0 0 |
| − | 4 29 1 1 0 0 0 | + | 4 29 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 6 0 0 0 | + | 19 23 1 6 0 0 0 |
| − | 21 24 3 0 0 0 0 | + | 21 24 3 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 4 0 0 0 | + | 25 26 1 4 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 30 27 1 0 0 0 0 | + | 30 27 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03020094 | + | ID LBST03020094 |
| − | FORMULA C27H38O3 | + | FORMULA C27H38O3 |
| − | EXACTMASS 410.28209508199996 | + | EXACTMASS 410.28209508199996 |
| − | AVERAGEMASS 410.58882 | + | AVERAGEMASS 410.58882 |
| − | SMILES [C@@H](O)(C4)C(=C)C(C[C@@H](O)4)=CC=C([C@@H]13)CCC[C@]([C@H](CC3)[C@@H](CC#CC(C)(C2)O2)C)1C | + | SMILES [C@@H](O)(C4)C(=C)C(C[C@@H](O)4)=CC=C([C@@H]13)CCC[C@]([C@H](CC3)[C@@H](CC#CC(C)(C2)O2)C)1C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
4.5981 4.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 5.0439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 4.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 3.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 0.0439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0622 0.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5870 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9937 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9882 -0.9342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6574 -1.6774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 -0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0175 -3.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3484 -2.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6355 -1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7085 -4.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3776 -5.0658 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
10.5576 -5.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5855 -6.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 6.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3287 -5.3748 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 1 0 0 0 0
1 6 1 0 0 0 0
5 7 2 0 0 0 0
8 9 1 0 0 0 0
6 9 2 0 0 0 0
8 10 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
13 12 1 0 0 0 0
13 14 1 6 0 0 0
14 15 1 0 0 0 0
11 15 1 0 0 0 0
12 16 1 1 0 0 0
16 17 1 0 0 0 0
18 17 1 1 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
13 20 1 1 0 0 0
2 28 1 6 0 0 0
4 29 1 1 0 0 0
21 22 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 6 0 0 0
21 24 3 0 0 0 0
24 25 1 0 0 0 0
25 26 1 4 0 0 0
25 30 1 0 0 0 0
25 27 1 0 0 0 0
30 27 1 0 0 0 0
S SKP 5
ID LBST03020094
FORMULA C27H38O3
EXACTMASS 410.28209508199996
AVERAGEMASS 410.58882
SMILES [C@@H](O)(C4)C(=C)C(C[C@@H](O)4)=CC=C([C@@H]13)CCC[C@]([C@H](CC3)[C@@H](CC#CC(C)(C2)O2)C)1C
M END
