Mol:LBST03020046
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | 8.2356 1.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2356 1.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2356 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2356 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3696 -0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3696 -0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5035 0.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.5035 0.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.5035 1.1974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.5035 1.1974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.3696 1.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3696 1.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5525 -0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5525 -0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9647 0.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9647 0.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5525 1.5065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.5525 1.5065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.3696 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3696 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2356 -1.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2356 -1.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2356 -2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2356 -2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5035 2.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5035 2.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9563 3.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9563 3.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2653 2.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2653 2.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2435 2.4575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.2435 2.4575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.7702 2.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7702 2.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 3.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 3.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3696 -3.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3696 -3.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3696 -4.3026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.3696 -4.3026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.2356 -4.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2356 -4.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1016 -4.3026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.1016 -4.3026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.1016 -3.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1016 -3.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9676 -2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9676 -2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9126 3.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9126 3.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1861 4.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1861 4.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5035 -4.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5035 -4.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9676 -4.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9676 -4.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 4.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 4.0323 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 |
| − | 3 10 2 0 0 0 0 | + | 3 10 2 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 |
| − | 5 13 1 6 0 0 0 | + | 5 13 1 6 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 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 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 20 27 1 6 0 0 0 | + | 20 27 1 6 0 0 0 |
| − | 9 16 1 0 0 0 0 | + | 9 16 1 0 0 0 0 |
| − | 22 28 1 1 0 0 0 | + | 22 28 1 1 0 0 0 |
| − | 16 25 1 1 0 0 0 | + | 16 25 1 1 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 18 29 1 0 0 0 0 | + | 18 29 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03020046 | + | ID LBST03020046 |
| − | FORMULA C26H42O3 | + | FORMULA C26H42O3 |
| − | EXACTMASS 402.31339520999995 | + | EXACTMASS 402.31339520999995 |
| − | AVERAGEMASS 402.60988 | + | AVERAGEMASS 402.60988 |
| − | SMILES [C@@H](O)(C3)C(=C)C(C[C@@H](O)3)=CC=C([C@H]21)CCC[C@@](C)1[C@H](CC2)[C@H](C)CCC(C)(C)O | + | SMILES [C@@H](O)(C3)C(=C)C(C[C@@H](O)3)=CC=C([C@H]21)CCC[C@@](C)1[C@H](CC2)[C@H](C)CCC(C)(C)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
8.2356 1.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2356 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3696 -0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5035 0.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5035 1.1974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3696 1.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5525 -0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9647 0.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5525 1.5065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3696 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2356 -1.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2356 -2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5035 2.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9563 3.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2653 2.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2435 2.4575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7702 2.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 3.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3696 -3.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3696 -4.3026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2356 -4.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1016 -4.3026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1016 -3.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9676 -2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9126 3.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1861 4.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5035 -4.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9676 -4.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0323 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
3 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
5 13 1 6 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
17 18 1 0 0 0 0
14 18 1 0 0 0 0
12 19 1 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
12 23 1 0 0 0 0
23 24 2 0 0 0 0
20 27 1 6 0 0 0
9 16 1 0 0 0 0
22 28 1 1 0 0 0
16 25 1 1 0 0 0
18 26 1 0 0 0 0
18 29 1 0 0 0 0
S SKP 5
ID LBST03020046
FORMULA C26H42O3
EXACTMASS 402.31339520999995
AVERAGEMASS 402.60988
SMILES [C@@H](O)(C3)C(=C)C(C[C@@H](O)3)=CC=C([C@H]21)CCC[C@@](C)1[C@H](CC2)[C@H](C)CCC(C)(C)O
M END
