Mol:FL1AAAGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4892 -0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4892 -0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4892 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4892 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2037 0.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2037 0.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9182 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9182 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9182 -0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9182 -0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2037 -1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2037 -1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2953 -1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2953 -1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7803 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7803 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2953 0.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2953 0.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6326 0.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6326 0.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3880 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3880 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6043 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6043 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0174 -1.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0174 -1.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8439 -1.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8439 -1.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2569 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2569 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8439 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8439 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0174 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0174 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0819 -0.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0819 -0.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4938 -1.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4938 -1.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1844 -0.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1844 -0.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3706 -0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3706 -0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9703 0.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9703 0.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1752 1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1752 1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0099 1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0099 1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4100 0.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4100 0.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0085 1.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0085 1.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4343 1.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4343 1.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0819 0.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0819 0.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7297 -0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7297 -0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2037 -1.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2037 -1.9945 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 21 20 1 1 0 0 0 | + | 21 20 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 20 1 1 0 0 0 | + | 25 20 1 1 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 20 29 1 0 0 0 0 | + | 20 29 1 0 0 0 0 |
| − | 10 21 1 0 0 0 0 | + | 10 21 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL1AAAGS0001 | + | ID FL1AAAGS0001 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES Oc(c1)ccc(C=c(c(=O)2)oc(c3)c2c(cc(OC(O4)C(O)C(O)C(O)C(C)4)3)O)c1 | + | SMILES Oc(c1)ccc(C=c(c(=O)2)oc(c3)c2c(cc(OC(O4)C(O)C(O)C(O)C(C)4)3)O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.4892 -0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4892 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2037 0.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9182 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9182 -0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2037 -1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2953 -1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7803 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2953 0.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6326 0.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3880 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6043 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0174 -1.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8439 -1.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2569 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8439 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0174 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0819 -0.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4938 -1.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1844 -0.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3706 -0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9703 0.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1752 1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0099 1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4100 0.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0085 1.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4343 1.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0819 0.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7297 -0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2037 -1.9945 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 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
15 18 1 0 0 0 0
7 19 2 0 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 20 1 1 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
25 28 1 0 0 0 0
20 29 1 0 0 0 0
10 21 1 0 0 0 0
6 30 1 0 0 0 0
S SKP 5
ID FL1AAAGS0001
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES Oc(c1)ccc(C=c(c(=O)2)oc(c3)c2c(cc(OC(O4)C(O)C(O)C(O)C(C)4)3)O)c1
M END
