Mol:FL5FACGS0004
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 |
| − | -3.3037 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3037 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3037 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3037 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6025 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6025 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9013 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9013 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9013 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9013 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6025 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6025 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2002 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2002 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4990 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4990 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4990 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4990 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2002 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2002 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2002 -2.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2002 -2.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2019 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2019 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9166 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9166 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6311 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6311 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6311 1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6311 1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9166 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9166 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2019 1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2019 1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0046 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0046 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3179 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3179 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5118 -1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5118 -1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0232 -1.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0232 -1.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9629 -1.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9629 -1.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9080 -1.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9080 -1.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3968 -1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3968 -1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4571 -1.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4571 -1.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8649 -1.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8649 -1.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0042 -0.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0042 -0.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0046 -1.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0046 -1.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3456 1.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3456 1.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6025 -2.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6025 -2.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9166 2.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9166 2.2455 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0004 | + | ID FL5FACGS0004 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O | + | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)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
-3.3037 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3037 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6025 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9013 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9013 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6025 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2002 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4990 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4990 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2002 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2002 -2.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2019 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9166 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6311 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6311 1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9166 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2019 1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0046 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3179 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5118 -1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0232 -1.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9629 -1.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9080 -1.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 -1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4571 -1.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8649 -1.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0042 -0.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0046 -1.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3456 1.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6025 -2.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9166 2.2455 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
S SKP 5
ID FL5FACGS0004
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O
M END
