Mol:FL3FGCGS0001
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 |
| − | -1.2209 -0.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2209 -0.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2209 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2209 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5199 -1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5199 -1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1812 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1812 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1812 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1812 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5199 0.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5199 0.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8823 -1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8823 -1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5833 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5833 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5833 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5833 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8823 0.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8823 0.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8823 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8823 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2841 0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2841 0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9985 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9985 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7132 0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7132 0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7132 0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7132 0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9985 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9985 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2841 0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2841 0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5199 -2.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5199 -2.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9248 0.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9248 0.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3438 1.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3438 1.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9985 1.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9985 1.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9761 -1.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9761 -1.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8308 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8308 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8322 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8322 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3438 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3438 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3437 0.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3437 0.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2922 0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2922 0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8308 1.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8308 1.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8322 1.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8322 1.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8322 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8322 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9216 2.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9216 2.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5199 0.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5199 0.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1175 2.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1175 2.2881 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 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 21 16 1 0 0 0 0 | + | 21 16 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 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 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 23 1 0 0 0 0 | + | 27 23 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 6 32 1 0 0 0 0 | + | 6 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 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 34 0.0000 0.4038 | + | M SBV 1 34 0.0000 0.4038 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 36 0.0000 -0.7571 | + | M SBV 2 36 0.0000 -0.7571 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FGCGS0001 | + | ID FL3FGCGS0001 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES O(C(C4O)OCC(CO)4O)c(c1O)c(OC)c(O2)c(C(=O)C=C2c(c3)cc(c(O)c3)O)c1O | + | SMILES O(C(C4O)OCC(CO)4O)c(c1O)c(OC)c(O2)c(C(=O)C=C2c(c3)cc(c(O)c3)O)c1O |
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
-1.2209 -0.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5199 -1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1812 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1812 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5199 0.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8823 -1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5833 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5833 -0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8823 0.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8823 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2841 0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9985 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7132 0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7132 0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9985 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2841 0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5199 -2.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9248 0.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3438 1.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9985 1.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9761 -1.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8308 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8322 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3438 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3437 0.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2922 0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8308 1.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8322 1.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8322 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9216 2.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5199 0.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1175 2.2881 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 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
1 19 1 0 0 0 0
20 15 1 0 0 0 0
21 16 1 0 0 0 0
2 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 23 1 0 0 0 0
23 28 1 0 0 0 0
27 19 1 0 0 0 0
24 29 1 0 0 0 0
30 31 1 0 0 0 0
24 30 1 0 0 0 0
32 33 1 0 0 0 0
6 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 CH2OH
M SBV 1 34 0.0000 0.4038
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 0.0000 -0.7571
S SKP 5
ID FL3FGCGS0001
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES O(C(C4O)OCC(CO)4O)c(c1O)c(OC)c(O2)c(C(=O)C=C2c(c3)cc(c(O)c3)O)c1O
M END
