Mol:FL3FFCGS0022
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.4285 0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4285 0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4285 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4285 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1429 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1429 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8574 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8574 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8574 0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8574 0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1429 0.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1429 0.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7141 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7141 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0004 -0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0004 -0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7149 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7149 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7149 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7149 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0004 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0004 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7141 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7141 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4293 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4293 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1437 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1437 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1437 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1437 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4293 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4293 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0004 -2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0004 -2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8582 -0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8582 -0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4293 -2.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4293 -2.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5630 0.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5630 0.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5218 -0.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5218 -0.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4293 0.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4293 0.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2788 1.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2788 1.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0070 2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0070 2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7534 1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7534 1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9354 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9354 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2072 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2072 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4607 1.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4607 1.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5630 0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5630 0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5036 1.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5036 1.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8040 2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8040 2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3740 2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3740 2.4292 0.0000 C 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 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 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FFCGS0022 | + | ID FL3FFCGS0022 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES c(c1)(O)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(OC(O2)C(O)C(O)C(O)C(C)2)c1O | + | SMILES c(c1)(O)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(OC(O2)C(O)C(O)C(O)C(C)2)c1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
1.4285 0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4285 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1429 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8574 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8574 0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1429 0.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7141 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0004 -0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7149 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7149 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0004 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7141 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4293 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1437 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1437 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4293 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0004 -2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8582 -0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4293 -2.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5630 0.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5218 -0.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4293 0.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2788 1.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0070 2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7534 1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9354 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2072 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4607 1.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5630 0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5036 1.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8040 2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3740 2.4292 0.0000 C 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
13 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
24 31 1 0 0 0 0
23 32 1 0 0 0 0
27 22 1 0 0 0 0
S SKP 5
ID FL3FFCGS0022
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(c1)(O)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(OC(O2)C(O)C(O)C(O)C(C)2)c1O
M END
