Mol:LBF20206HP01
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 30 0 0 1 0 0 0 0 0999 V2000 | + | 29 30 0 0 1 0 0 0 0 0999 V2000 |
| − | 0.0959 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0959 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9209 0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9209 0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1408 0.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1408 0.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9443 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9443 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2063 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2063 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5646 -0.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5646 -0.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6771 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6771 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1479 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1479 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9849 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9849 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5680 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5680 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2178 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2178 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9705 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9705 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1683 0.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1683 0.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9987 0.6519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9987 0.6519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3105 1.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3105 1.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6810 -2.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6810 -2.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4384 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4384 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9533 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9533 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7106 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7106 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7127 0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7127 0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4701 -1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4701 -1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9849 -1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9849 -1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0162 0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0162 0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7736 -1.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7736 -1.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7736 1.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7736 1.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0162 2.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0162 2.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6771 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6771 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1479 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1479 -0.0114 0.0000 C 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 |
| − | 4 1 1 0 0 0 0 | + | 4 1 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 |
| − | 6 7 1 4 0 0 0 | + | 6 7 1 4 0 0 0 |
| − | 1 7 1 4 0 0 0 | + | 1 7 1 4 0 0 0 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 8 29 1 0 0 0 0 | + | 8 29 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 4 0 0 0 | + | 12 13 1 4 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 2 14 1 4 0 0 0 | + | 2 14 1 4 0 0 0 |
| − | 12 3 1 0 0 0 0 | + | 12 3 1 0 0 0 0 |
| − | 3 15 1 4 0 0 0 | + | 3 15 1 4 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 23 22 1 4 0 0 0 | + | 23 22 1 4 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 8 28 2 0 0 0 0 | + | 8 28 2 0 0 0 0 |
| − | 9 29 2 0 0 0 0 | + | 9 29 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20206HP01 | + | ID LBF20206HP01 |
| − | FORMULA C21H34O8 | + | FORMULA C21H34O8 |
| − | EXACTMASS 414.225368064 | + | EXACTMASS 414.225368064 |
| − | AVERAGEMASS 414.48986 | + | AVERAGEMASS 414.48986 |
| − | SMILES C(CC=CC=CC(C1)OOC(C(O2)CC(O2)C(OO)CCCC(OC)=O)1)CCC | + | SMILES C(CC=CC=CC(C1)OOC(C(O2)CC(O2)C(OO)CCCC(OC)=O)1)CCC |
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 30 0 0 1 0 0 0 0 0999 V2000
0.0959 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9209 0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1408 0.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9443 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2063 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5646 -0.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6771 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1479 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9849 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5680 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2178 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9705 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1683 0.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9987 0.6519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3105 1.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6810 -2.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4384 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9533 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7106 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7127 0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4701 -1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9849 -1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0162 0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7736 -1.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7736 1.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0162 2.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6771 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1479 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
4 1 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 4 0 0 0
1 7 1 4 0 0 0
6 28 1 0 0 0 0
8 29 1 0 0 0 0
2 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 4 0 0 0
13 14 1 0 0 0 0
2 14 1 4 0 0 0
12 3 1 0 0 0 0
3 15 1 4 0 0 0
15 16 1 0 0 0 0
9 17 1 0 0 0 0
10 20 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
23 22 1 4 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
8 28 2 0 0 0 0
9 29 2 0 0 0 0
S SKP 5
ID LBF20206HP01
FORMULA C21H34O8
EXACTMASS 414.225368064
AVERAGEMASS 414.48986
SMILES C(CC=CC=CC(C1)OOC(C(O2)CC(O2)C(OO)CCCC(OC)=O)1)CCC
M END
