Mol:FL5FAAGS0015
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9985 -0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9985 -0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9985 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9985 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4422 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4422 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1141 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1141 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1141 -0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1141 -0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4422 0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4422 0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6704 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6704 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2267 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2267 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2267 -0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2267 -0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6704 0.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6704 0.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6704 -1.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6704 -1.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7828 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7828 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3498 -0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3498 -0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9168 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9168 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9168 0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9168 0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3498 1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3498 1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7828 0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7828 0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4422 -1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4422 -1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5546 0.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5546 0.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4836 1.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4836 1.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6587 -1.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6587 -1.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9529 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9529 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3247 -0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3247 -0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5240 0.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5240 0.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3247 1.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3247 1.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9529 1.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9529 1.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7536 0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7536 0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5521 1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5521 1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3247 1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3247 1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3187 0.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3187 0.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4836 -0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4836 -0.0850 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 2 0 0 0 0 | + | 2 3 2 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 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0015 | + | ID FL5FAAGS0015 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(OC(O2)C(O)C(O)C(O)C(C)2)1)O | + | SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(OC(O2)C(O)C(O)C(O)C(C)2)1)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.9985 -0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9985 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4422 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1141 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1141 -0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4422 0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6704 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2267 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2267 -0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6704 0.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6704 -1.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7828 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3498 -0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9168 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9168 0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3498 1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7828 0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4422 -1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5546 0.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4836 1.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6587 -1.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9529 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3247 -0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5240 0.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3247 1.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9529 1.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7536 0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5521 1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3247 1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3187 0.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4836 -0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
27 30 1 0 0 0 0
22 31 1 0 0 0 0
23 19 1 0 0 0 0
S SKP 5
ID FL5FAAGS0015
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(OC(O2)C(O)C(O)C(O)C(C)2)1)O
M END
