Mol:LBST03010045
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 9.3835 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3835 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3835 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.3835 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.5175 5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6515 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.6515 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.6515 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6515 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5175 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7855 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7855 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6515 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6515 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5175 2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7855 0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.7855 0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.6515 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6515 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7855 -0.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.7855 -0.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.6515 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6515 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5175 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5175 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8344 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8344 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2466 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2466 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8344 -1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.8344 -1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.2382 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2382 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5472 -2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5472 -2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5254 -1.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5254 -1.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.9021 -4.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 -4.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 -4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 -4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2601 -3.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.2601 -3.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.7855 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7855 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1945 -2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1945 -2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5909 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5909 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2496 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2496 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6420 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6420 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7855 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7855 5.2645 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 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 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 |
| − | 11 15 1 0 0 0 0 | + | 11 15 1 0 0 0 0 |
| − | 10 16 1 1 0 0 0 | + | 10 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 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 12 25 1 1 0 0 0 | + | 12 25 1 1 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 21 27 1 6 0 0 0 | + | 21 27 1 6 0 0 0 |
| − | 2 29 1 6 0 0 0 | + | 2 29 1 6 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 28 1 6 0 0 0 | + | 24 28 1 6 0 0 0 |
| − | 4 31 1 6 0 0 0 | + | 4 31 1 6 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03010045 | + | ID LBST03010045 |
| − | FORMULA C28H44O3 | + | FORMULA C28H44O3 |
| − | EXACTMASS 428.329045274 | + | EXACTMASS 428.329045274 |
| − | AVERAGEMASS 428.64716 | + | AVERAGEMASS 428.64716 |
| − | SMILES C([C@H](C(C)(C)O)C)=C[C@H]([C@H]([C@@](C)21)CC[C@H]1C(=CC=C(C(=C)3)C[C@H](C[C@@H](O)3)O)CCC2)C | + | SMILES C([C@H](C(C)(C)O)C)=C[C@H]([C@H]([C@@](C)21)CC[C@H]1C(=CC=C(C(=C)3)C[C@H](C[C@@H](O)3)O)CCC2)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
9.3835 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3835 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.5175 5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6515 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6515 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5175 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7855 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6515 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5175 2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7855 0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.6515 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7855 -0.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6515 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5175 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5175 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8344 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2466 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8344 -1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2382 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5472 -2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5254 -1.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9021 -4.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 -3.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7855 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1945 -2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5909 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2496 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7855 5.2645 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
10 11 1 0 0 0 0
8 11 2 0 0 0 0
10 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
11 15 1 0 0 0 0
10 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
19 20 2 0 0 0 0
20 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
19 24 1 0 0 0 0
18 21 1 0 0 0 0
12 25 1 1 0 0 0
23 26 1 0 0 0 0
21 27 1 6 0 0 0
2 29 1 6 0 0 0
23 30 1 0 0 0 0
24 28 1 6 0 0 0
4 31 1 6 0 0 0
S SKP 5
ID LBST03010045
FORMULA C28H44O3
EXACTMASS 428.329045274
AVERAGEMASS 428.64716
SMILES C([C@H](C(C)(C)O)C)=C[C@H]([C@H]([C@@](C)21)CC[C@H]1C(=CC=C(C(=C)3)C[C@H](C[C@@H](O)3)O)CCC2)C
M END
