Mol:FL4DACGS0025
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0831 0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0831 0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3686 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3686 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6542 0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6542 0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6542 0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6542 0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3686 1.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3686 1.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0831 0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0831 0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0602 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0602 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7747 0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7747 0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7747 0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7747 0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0602 1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0602 1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0602 -1.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0602 -1.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5698 1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5698 1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2949 0.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2949 0.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0200 1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0200 1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0200 2.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0200 2.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2949 2.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2949 2.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5698 2.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5698 2.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7012 1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7012 1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4168 -0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4168 -0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7452 2.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7452 2.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2949 3.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2949 3.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2523 -2.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2523 -2.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9867 -2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9867 -2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7536 -1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7536 -1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9867 -0.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9867 -0.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2523 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2523 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4852 -1.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4852 -1.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4871 -1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4871 -1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3158 -2.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3158 -2.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8801 -3.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8801 -3.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2562 -2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2562 -2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3686 -1.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3686 -1.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6643 -2.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6643 -2.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0322 -2.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0322 -2.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3247 -2.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3247 -2.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6129 -2.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6129 -2.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2451 -2.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2451 -2.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9525 -2.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9525 -2.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4057 -2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4057 -2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7452 -2.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7452 -2.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7122 -3.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7122 -3.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6129 -3.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6129 -3.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 2 32 1 0 0 0 0 | + | 2 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0025 | + | ID FL4DACGS0025 |
| − | FORMULA C27H32O15 | + | FORMULA C27H32O15 |
| − | EXACTMASS 596.174120354 | + | EXACTMASS 596.174120354 |
| − | AVERAGEMASS 596.5339799999999 | + | AVERAGEMASS 596.5339799999999 |
| − | SMILES O(C(C3c(c5)ccc(O)c5O)C(=O)c(c2OC(O4)C(C(O)C(O)C(C)4)O)c(O3)cc(c2)O)C(C(O)1)OC(C)C(C(O)1)O | + | SMILES O(C(C3c(c5)ccc(O)c5O)C(=O)c(c2OC(O4)C(C(O)C(O)C(C)4)O)c(O3)cc(c2)O)C(C(O)1)OC(C)C(C(O)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/
42 46 0 0 0 0 0 0 0 0999 V2000
-2.0831 0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3686 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6542 0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6542 0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3686 1.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0831 0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0602 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7747 0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7747 0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0602 1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0602 -1.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5698 1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2949 0.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0200 1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0200 2.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2949 2.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5698 2.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7012 1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4168 -0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7452 2.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2949 3.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2523 -2.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9867 -2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7536 -1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9867 -0.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2523 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4852 -1.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4871 -1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3158 -2.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8801 -3.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2562 -2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3686 -1.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6643 -2.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0322 -2.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3247 -2.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6129 -2.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2451 -2.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9525 -2.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4057 -2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7452 -2.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7122 -3.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6129 -3.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
16 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
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 19 1 0 0 0 0
2 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 32 1 0 0 0 0
S SKP 5
ID FL4DACGS0025
FORMULA C27H32O15
EXACTMASS 596.174120354
AVERAGEMASS 596.5339799999999
SMILES O(C(C3c(c5)ccc(O)c5O)C(=O)c(c2OC(O4)C(C(O)C(O)C(C)4)O)c(O3)cc(c2)O)C(C(O)1)OC(C)C(C(O)1)O
M END
