Mol:LBST03020093
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 4.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 4.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 4.9934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.9934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 4.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 4.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.4934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.4934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.4934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.4934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.0066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.0066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5870 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5870 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9937 -1.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9937 -1.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9882 -0.9848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.9882 -0.9848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.6574 -1.7279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.6574 -1.7279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3484 -2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3484 -2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6355 -1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6355 -1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0175 -3.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0175 -3.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7085 -4.3732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 7.7085 -4.3732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 6.9653 -5.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9653 -5.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2962 -4.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2962 -4.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6563 -5.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6563 -5.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 5.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 5.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9164 -5.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9164 -5.3513 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 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 19 22 1 6 0 0 0 | + | 19 22 1 6 0 0 0 |
| − | 21 23 3 0 0 0 0 | + | 21 23 3 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 30 1 4 0 0 0 | + | 24 30 1 4 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03020093 | + | ID LBST03020093 |
| − | 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](C)C#CC(O2)C2(C)C)(C)1 | + | 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](C)C#CC(O2)C2(C)C)(C)1 |
M END | M END | ||
| − | |||
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 4.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.9934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 4.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.4934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.4934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -0.0066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0622 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5870 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9937 -1.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9882 -0.9848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6574 -1.7279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 -0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3484 -2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6355 -1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0175 -3.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7085 -4.3732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.9653 -5.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 -4.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6563 -5.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 5.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9164 -5.3513 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
19 21 1 0 0 0 0
19 22 1 6 0 0 0
21 23 3 0 0 0 0
23 24 1 0 0 0 0
24 30 1 4 0 0 0
30 25 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
S SKP 5
ID LBST03020093
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](C)C#CC(O2)C2(C)C)(C)1
M END
