Mol:FL5FCAGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0856 1.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0856 1.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0856 0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0856 0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3845 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3845 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6835 0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6835 0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6835 1.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6835 1.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3845 2.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3845 2.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9824 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9824 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2814 0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2814 0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2814 1.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2814 1.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9824 2.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9824 2.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9824 -0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9824 -0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4194 2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4194 2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1339 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1339 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8484 2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8484 2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8484 2.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8484 2.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1339 3.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1339 3.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4194 2.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4194 2.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3845 -0.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3845 -0.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5232 0.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5232 0.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8080 -0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8080 -0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8899 -0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8899 -0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7822 -0.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7822 -0.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3335 -1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3335 -1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2518 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2518 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3595 -0.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3595 -0.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1434 0.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1434 0.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4637 -0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4637 -0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6254 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6254 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5627 3.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5627 3.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8003 2.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8003 2.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4304 3.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4304 3.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2462 -2.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2462 -2.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4304 -1.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4304 -1.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0657 -3.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0657 -3.2461 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 |
| − | 3 18 1 0 0 0 0 | + | 3 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 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 34 0.7147 -0.4126 | + | M SBV 1 34 0.7147 -0.4126 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 3 32 33 34 | + | M SAL 2 3 32 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 COOH | + | M SMT 2 COOH |
| − | M SBV 2 37 -0.9127 0.6169 | + | M SBV 2 37 -0.9127 0.6169 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCAGS0003 | + | ID FL5FCAGS0003 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES O(C(C(=O)4)=C(Oc(c43)cc(cc3O)OC)c(c2)ccc(c2)O)C(C(O)1)OC(C(O)C1O)C(O)=O | + | SMILES O(C(C(=O)4)=C(Oc(c43)cc(cc3O)OC)c(c2)ccc(c2)O)C(C(O)1)OC(C(O)C1O)C(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-3.0856 1.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0856 0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3845 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6835 0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6835 1.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3845 2.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9824 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2814 0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2814 1.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9824 2.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9824 -0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4194 2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1339 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8484 2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8484 2.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1339 3.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4194 2.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3845 -0.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5232 0.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8080 -0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8899 -0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7822 -0.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3335 -1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2518 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3595 -0.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1434 0.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4637 -0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6254 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5627 3.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8003 2.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4304 3.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2462 -2.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4304 -1.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0657 -3.2461 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
3 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
30 31 1 0 0 0 0
1 30 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
23 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^ OCH3
M SBV 1 34 0.7147 -0.4126
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 32 33 34
M SBL 2 1 37
M SMT 2 COOH
M SBV 2 37 -0.9127 0.6169
S SKP 5
ID FL5FCAGS0003
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES O(C(C(=O)4)=C(Oc(c43)cc(cc3O)OC)c(c2)ccc(c2)O)C(C(O)1)OC(C(O)C1O)C(O)=O
M END
