Mol:FL3FE9GS0004
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 |
| − | -1.0207 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0207 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0207 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0207 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3063 -1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3063 -1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4082 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4082 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4082 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4082 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3063 -0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3063 -0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1226 -1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1226 -1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8371 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8371 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8371 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8371 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1226 -0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1226 -0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1226 -2.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1226 -2.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5513 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5513 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2795 -0.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2795 -0.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0076 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0076 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0076 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0076 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2795 1.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2795 1.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5513 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5513 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7349 -0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7349 -0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3063 -2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3063 -2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3686 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3686 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5618 -0.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5618 -0.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8178 0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8178 0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5618 1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5618 1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3686 2.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3686 2.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1128 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1128 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5618 2.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5618 2.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7545 1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7545 1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0076 0.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0076 0.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7349 -1.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7349 -1.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0934 2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0934 2.5630 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 21 20 1 1 0 0 0 | + | 21 20 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 |
| − | 25 20 1 1 0 0 0 | + | 25 20 1 1 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 2 29 1 0 0 0 0 | + | 2 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FE9GS0004 | + | ID FL3FE9GS0004 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES C(=O)(C=3)c(c2O)c(OC3c(c4)cccc4)cc(c2O)OC(O1)C(O)C(O)C(O)C(C)1 | + | SMILES C(=O)(C=3)c(c2O)c(OC3c(c4)cccc4)cc(c2O)OC(O1)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
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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
-1.0207 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0207 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3063 -1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4082 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4082 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3063 -0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1226 -1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8371 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8371 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1226 -0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1226 -2.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5513 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2795 -0.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0076 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0076 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2795 1.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5513 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7349 -0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3063 -2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3686 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5618 -0.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8178 0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5618 1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3686 2.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1128 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5618 2.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7545 1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0076 0.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7349 -1.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0934 2.5630 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 20 1 1 0 0 0
23 26 1 0 0 0 0
25 27 1 0 0 0 0
20 28 1 0 0 0 0
21 18 1 0 0 0 0
2 29 1 0 0 0 0
24 30 1 0 0 0 0
S SKP 5
ID FL3FE9GS0004
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES C(=O)(C=3)c(c2O)c(OC3c(c4)cccc4)cc(c2O)OC(O1)C(O)C(O)C(O)C(C)1
M END
