Mol:FL5FFCGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7583 -0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7583 -0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7583 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7583 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0836 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0836 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4088 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4088 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4088 -0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4088 -0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0836 -0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0836 -0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2658 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2658 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9406 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9406 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9406 -0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9406 -0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2658 -0.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2658 -0.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6149 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6149 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3299 -0.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3299 -0.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0450 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0450 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0450 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0450 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3299 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3299 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6149 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6149 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0836 -2.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0836 -2.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4277 -0.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4277 -0.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2658 -2.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2658 -2.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7594 0.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7594 0.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1415 2.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1415 2.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6597 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6597 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7274 1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7274 1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7967 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7967 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2785 2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2785 2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2109 1.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2109 1.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7594 1.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7594 1.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5011 1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5011 1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8544 2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8544 2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0814 0.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0814 0.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6149 -2.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6149 -2.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2703 2.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2703 2.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3299 1.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3299 1.6193 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 30 6 1 0 0 0 0 | + | 30 6 1 0 0 0 0 |
| − | 8 31 1 0 0 0 0 | + | 8 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 15 33 1 0 0 0 0 | + | 15 33 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFCGS0001 | + | ID FL5FFCGS0001 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES c(O)(c4)c(c(c(c4O)2)OC(c(c3)cc(c(O)c3)O)=C(C2=O)O)OC(O1)C(O)C(O)C(O)C(C)1 | + | SMILES c(O)(c4)c(c(c(c4O)2)OC(c(c3)cc(c(O)c3)O)=C(C2=O)O)OC(O1)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.7583 -0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7583 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0836 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4088 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4088 -0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0836 -0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2658 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9406 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9406 -0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2658 -0.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6149 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3299 -0.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0450 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0450 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3299 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6149 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0836 -2.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4277 -0.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2658 -2.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7594 0.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1415 2.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6597 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7274 1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7967 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2785 2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2109 1.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7594 1.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5011 1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8544 2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0814 0.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6149 -2.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2703 2.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3299 1.6193 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
7 19 2 0 0 0 0
14 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
26 29 1 0 0 0 0
24 30 1 0 0 0 0
30 6 1 0 0 0 0
8 31 1 0 0 0 0
25 32 1 0 0 0 0
15 33 1 0 0 0 0
S SKP 5
ID FL5FFCGS0001
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES c(O)(c4)c(c(c(c4O)2)OC(c(c3)cc(c(O)c3)O)=C(C2=O)O)OC(O1)C(O)C(O)C(O)C(C)1
M END
