Mol:LBST03010061
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 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 |
| − | 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 -0.2645 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 3.2601 3.3624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.2601 3.3624 0.0000 C 0 0 1 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 |
| − | 3.9021 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 |
| − | 2.0000 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 9.3835 -4.7645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.3835 -4.7645 0.0000 C 0 0 1 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 -3.7645 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 | + | 6.7855 1.7355 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 1 0 0 0 | + | 5 6 1 1 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 4 7 1 6 0 0 0 | + | 4 7 1 6 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 9 8 1 6 0 0 0 | + | 9 8 1 6 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 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 |
| − | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
| − | 3 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 |
| − | 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 |
| − | 5 25 1 6 0 0 0 | + | 5 25 1 6 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 21 28 1 6 0 0 0 | + | 21 28 1 6 0 0 0 |
| − | 10 26 1 1 0 0 0 | + | 10 26 1 1 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 23 30 1 1 0 0 0 | + | 23 30 1 1 0 0 0 |
| − | 13 27 1 6 0 0 0 | + | 13 27 1 6 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03010061 | + | ID LBST03010061 |
| − | FORMULA C27H44O3 | + | FORMULA C27H44O3 |
| − | EXACTMASS 416.329045274 | + | EXACTMASS 416.329045274 |
| − | AVERAGEMASS 416.63646 | + | AVERAGEMASS 416.63646 |
| − | SMILES [C@@H](C=C[C@H](C)C(C)(C)O)(C)[C@@H](C3)[C@](C)([C@H]1C3)CCCC1=CC=C(C2)C[C@@H](O)C[C@@H]2O | + | SMILES [C@@H](C=C[C@H](C)C(C)(C)O)(C)[C@@H](C3)[C@](C)([C@H]1C3)CCCC1=CC=C(C2)C[C@@H](O)C[C@@H]2O |
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 32 0 0 0 0 0 0 0 0999 V2000
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
7.6515 -0.7645 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 0.7355 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
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
5.5254 1.9955 0.0000 C 0 0 1 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
4.2382 3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 3.3624 0.0000 C 0 0 1 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
3.9021 4.6225 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
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 -3.2645 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
7.6515 -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
9.3835 -4.7645 0.0000 C 0 0 1 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
6.7855 1.7355 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
6.7855 -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
10.2496 -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 1 0 0 0
1 6 1 0 0 0 0
4 7 1 6 0 0 0
7 8 1 0 0 0 0
9 8 1 6 0 0 0
5 9 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 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
14 16 1 0 0 0 0
3 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 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
5 25 1 6 0 0 0
9 10 1 0 0 0 0
21 28 1 6 0 0 0
10 26 1 1 0 0 0
14 29 1 0 0 0 0
23 30 1 1 0 0 0
13 27 1 6 0 0 0
S SKP 5
ID LBST03010061
FORMULA C27H44O3
EXACTMASS 416.329045274
AVERAGEMASS 416.63646
SMILES [C@@H](C=C[C@H](C)C(C)(C)O)(C)[C@@H](C3)[C@](C)([C@H]1C3)CCCC1=CC=C(C2)C[C@@H](O)C[C@@H]2O
M END
