Mol:FL5FDCGS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6381 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6381 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6381 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6381 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0763 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0763 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7908 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7908 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7908 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7908 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0763 0.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0763 0.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5053 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5053 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2197 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2197 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2197 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2197 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5053 0.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5053 0.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5053 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5053 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9339 0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9339 0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6621 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6621 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3902 0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3902 0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3902 1.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3902 1.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6621 1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6621 1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9339 1.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9339 1.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3523 0.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3523 0.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0763 -2.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0763 -2.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1483 1.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1483 1.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6621 2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6621 2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3450 0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3450 0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8570 -0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8570 -0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8507 0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8507 0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0748 -0.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0748 -0.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6779 0.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6779 0.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5599 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5599 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1483 0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1483 0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6517 -0.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6517 -0.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2058 -0.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2058 -0.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9563 -1.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9563 -1.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0686 -2.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0686 -2.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0036 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0036 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9212 1.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9212 1.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0860 1.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0860 1.3820 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 8 31 1 0 0 0 0 | + | 8 31 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -0.7365 0.4252 | + | M SBV 1 35 -0.7365 0.4252 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 3 33 34 35 | + | M SAL 2 3 33 34 35 |
| − | M SBL 2 1 38 | + | M SBL 2 1 38 |
| − | M SMT 2 ^ COOH | + | M SMT 2 ^ COOH |
| − | M SBV 2 38 0.4437 -0.6563 | + | M SBV 2 38 0.4437 -0.6563 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FDCGS0005 | + | ID FL5FDCGS0005 |
| − | FORMULA C22H20O13 | + | FORMULA C22H20O13 |
| − | EXACTMASS 492.090390726 | + | EXACTMASS 492.090390726 |
| − | AVERAGEMASS 492.3864 | + | AVERAGEMASS 492.3864 |
| − | SMILES Oc(c24)cc(cc2OC(=C(C4=O)OC)c(c3)ccc(c3O)O)OC(O1)C(O)C(C(O)C1C(O)=O)O | + | SMILES Oc(c24)cc(cc2OC(=C(C4=O)OC)c(c3)ccc(c3O)O)OC(O1)C(O)C(C(O)C1C(O)=O)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/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.6381 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0763 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7908 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7908 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0763 0.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5053 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2197 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2197 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5053 0.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5053 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9339 0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6621 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3902 0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3902 1.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6621 1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9339 1.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3523 0.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0763 -2.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1483 1.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6621 2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3450 0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8570 -0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8507 0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0748 -0.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6779 0.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5599 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1483 0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6517 -0.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2058 -0.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9563 -1.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0686 -2.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0036 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9212 1.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0860 1.3820 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
3 19 1 0 0 0 0
20 15 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
31 32 1 0 0 0 0
8 31 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
27 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -0.7365 0.4252
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 33 34 35
M SBL 2 1 38
M SMT 2 ^ COOH
M SBV 2 38 0.4437 -0.6563
S SKP 5
ID FL5FDCGS0005
FORMULA C22H20O13
EXACTMASS 492.090390726
AVERAGEMASS 492.3864
SMILES Oc(c24)cc(cc2OC(=C(C4=O)OC)c(c3)ccc(c3O)O)OC(O1)C(O)C(C(O)C1C(O)=O)O
M END
