Mol:FL3FFAGS0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0605 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0605 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0605 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0605 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6539 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6539 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3684 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3684 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3684 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3684 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.0828 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0828 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7973 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7973 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7973 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7973 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0828 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0828 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5118 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5118 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2262 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2262 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9406 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9406 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9406 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9406 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2262 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2262 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5118 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5118 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0828 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0828 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6539 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6539 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5645 1.8112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5645 1.8112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6962 0.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6962 0.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6539 1.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6539 1.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3930 1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3930 1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9804 0.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9804 0.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1821 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1821 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3886 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3886 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8012 0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8012 0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5996 0.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5996 0.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6683 -0.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6683 -0.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5675 0.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5675 0.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9535 0.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9535 0.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0415 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0415 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6289 -0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6289 -0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8305 -0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8305 -0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0371 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0371 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4496 -0.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4496 -0.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2480 -0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2480 -0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6307 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6307 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3152 0.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3152 0.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5645 -0.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5645 -0.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3237 -0.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3237 -0.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4011 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4011 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
| − | 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 31 39 1 0 0 0 0 | + | 31 39 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 28 1 0 0 0 0 | + | 34 28 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FFAGS0013 | + | ID FL3FFAGS0013 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES C(C4O)(O)C(OC(C(O)5)OC(C(O)C5O)CO)C(OC4)Oc(c(O)1)cc(c(C3=O)c(OC(=C3)c(c2)ccc(O)c2)1)O | + | SMILES C(C4O)(O)C(OC(C(O)5)OC(C(O)C5O)CO)C(OC4)Oc(c(O)1)cc(c(C3=O)c(OC(=C3)c(c2)ccc(O)c2)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-0.0605 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0605 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6539 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3684 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3684 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6539 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0828 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7973 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7973 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0828 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5118 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2262 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9406 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9406 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2262 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5118 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0828 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6539 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5645 1.8112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6962 0.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6539 1.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3930 1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9804 0.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1821 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3886 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8012 0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5996 0.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6683 -0.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5675 0.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9535 0.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0415 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6289 -0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8305 -0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0371 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4496 -0.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2480 -0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6307 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3152 0.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5645 -0.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3237 -0.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4011 -1.0090 0.0000 O 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
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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
6 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
22 30 1 0 0 0 0
25 20 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
31 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 28 1 0 0 0 0
S SKP 5
ID FL3FFAGS0013
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES C(C4O)(O)C(OC(C(O)5)OC(C(O)C5O)CO)C(OC4)Oc(c(O)1)cc(c(C3=O)c(OC(=C3)c(c2)ccc(O)c2)1)O
M END
