Mol:LBST03020097
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.8660 4.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 4.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 4.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 4.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 4.9264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.9264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.0736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.0736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5870 -0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5870 -0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9937 -1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9937 -1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9882 -1.0517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.9882 -1.0517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.6574 -1.7949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.6574 -1.7949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.0175 -3.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0175 -3.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3484 -2.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3484 -2.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1207 -4.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1207 -4.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3776 -5.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3776 -5.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7085 -4.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7085 -4.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6345 -5.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6345 -5.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6355 -1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6355 -1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 4.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 5.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 5.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0467 -5.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0467 -5.9264 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 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 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 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 |
| − | 10 14 1 0 0 0 0 | + | 10 14 1 0 0 0 0 |
| − | 11 15 1 1 0 0 0 | + | 11 15 1 1 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 17 16 1 1 0 0 0 | + | 17 16 1 1 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 2 28 1 1 0 0 0 | + | 2 28 1 1 0 0 0 |
| − | 18 25 1 6 0 0 0 | + | 18 25 1 6 0 0 0 |
| − | 12 26 1 1 0 0 0 | + | 12 26 1 1 0 0 0 |
| − | 6 29 1 6 0 0 0 | + | 6 29 1 6 0 0 0 |
| − | 5 27 1 0 0 0 0 | + | 5 27 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03020097 | + | ID LBST03020097 |
| − | FORMULA C27H44O3 | + | FORMULA C27H44O3 |
| − | EXACTMASS 416.329045274 | + | EXACTMASS 416.329045274 |
| − | AVERAGEMASS 416.63646 | + | AVERAGEMASS 416.63646 |
| − | SMILES C([C@]32C)CC=C([C@H](CC[C@H]([C@@H](CCCC(C)(C)O)C)3)2)C=CC(C1)=C(C)[C@@H](O)C[C@H](O)1 | + | SMILES C([C@]32C)CC=C([C@H](CC[C@H]([C@@H](CCCC(C)(C)O)C)3)2)C=CC(C1)=C(C)[C@@H](O)C[C@H](O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
2.8660 4.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 2.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.9264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 2.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -0.0736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0622 0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5870 -0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9937 -1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9882 -1.0517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6574 -1.7949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0175 -3.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3484 -2.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1207 -4.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3776 -5.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7085 -4.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6345 -5.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6355 -1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 5.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0467 -5.9264 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 2 0 0 0 0
5 6 1 0 0 0 0
1 6 1 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 6 0 0 0
13 14 1 0 0 0 0
10 14 1 0 0 0 0
11 15 1 1 0 0 0
15 16 1 0 0 0 0
17 16 1 1 0 0 0
12 17 1 0 0 0 0
19 20 1 0 0 0 0
18 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
19 23 1 0 0 0 0
22 24 1 0 0 0 0
17 18 1 0 0 0 0
2 28 1 1 0 0 0
18 25 1 6 0 0 0
12 26 1 1 0 0 0
6 29 1 6 0 0 0
5 27 1 0 0 0 0
22 30 1 0 0 0 0
S SKP 5
ID LBST03020097
FORMULA C27H44O3
EXACTMASS 416.329045274
AVERAGEMASS 416.63646
SMILES C([C@]32C)CC=C([C@H](CC[C@H]([C@@H](CCCC(C)(C)O)C)3)2)C=CC(C1)=C(C)[C@@H](O)C[C@H](O)1
M END
