Mol:FL2FABGS0003
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 |
| − | -1.3937 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3937 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3937 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3937 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6793 -1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6793 -1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0352 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0352 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0352 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0352 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6793 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6793 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7496 -1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7496 -1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4641 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4641 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4641 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4641 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7496 0.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7496 0.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1783 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1783 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9065 0.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9065 0.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6346 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6346 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6346 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6346 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9065 1.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9065 1.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1783 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1783 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7496 -1.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7496 -1.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1082 0.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1082 0.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6793 -1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6793 -1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7209 0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7209 0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2789 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2789 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6426 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6426 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0284 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0284 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4747 0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4747 0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1248 0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1248 0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3088 0.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3088 0.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9426 -0.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9426 -0.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2898 -0.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2898 -0.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3912 1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3912 1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3088 1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3088 1.3463 0.0000 C 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 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 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 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 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 |
| − | 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 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 33 -0.7566 -0.4368 | + | M SBV 1 33 -0.7566 -0.4368 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FABGS0003 | + | ID FL2FABGS0003 |
| − | FORMULA C21H22O9 | + | FORMULA C21H22O9 |
| − | EXACTMASS 418.126382302 | + | EXACTMASS 418.126382302 |
| − | AVERAGEMASS 418.39398 | + | AVERAGEMASS 418.39398 |
| − | SMILES O(C(Oc(c4)cc(c(c4O)3)OC(CC(=O)3)c(c2)ccc(OC)c2)1)CC(O)C(O)C(O)1 | + | SMILES O(C(Oc(c4)cc(c(c4O)3)OC(CC(=O)3)c(c2)ccc(OC)c2)1)CC(O)C(O)C(O)1 |
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
-1.3937 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3937 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6793 -1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0352 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0352 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6793 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7496 -1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4641 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4641 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7496 0.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1783 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9065 0.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6346 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6346 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9065 1.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1783 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7496 -1.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1082 0.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6793 -1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7209 0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2789 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6426 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0284 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4747 0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1248 0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3088 0.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9426 -0.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2898 -0.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3912 1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3088 1.3463 0.0000 C 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 1 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
7 17 2 0 0 0 0
18 1 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 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 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 18 1 0 0 0 0
29 30 1 0 0 0 0
14 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -0.7566 -0.4368
S SKP 5
ID FL2FABGS0003
FORMULA C21H22O9
EXACTMASS 418.126382302
AVERAGEMASS 418.39398
SMILES O(C(Oc(c4)cc(c(c4O)3)OC(CC(=O)3)c(c2)ccc(OC)c2)1)CC(O)C(O)C(O)1
M END
