Mol:FL3FABCS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.4406 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4406 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7261 -0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7261 -0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0116 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0116 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0116 -1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0116 -1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7261 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7261 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4406 -1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4406 -1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7027 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7027 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4172 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4172 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4172 -1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4172 -1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7027 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7027 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0629 -0.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0629 -0.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7027 -2.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7027 -2.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7261 -2.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7261 -2.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2223 -0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2223 -0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9368 -0.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9368 -0.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6512 -0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6512 -0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6512 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6512 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9368 0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9368 0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2223 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2223 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2664 0.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2664 0.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6867 2.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6867 2.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0698 1.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0698 1.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4661 0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4661 0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2333 0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2333 0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8501 0.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8501 0.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4538 1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4538 1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1909 1.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1909 1.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4007 2.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4007 2.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1051 2.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1051 2.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4536 2.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4536 2.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7389 0.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7389 0.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9244 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9244 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9847 2.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9847 2.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7818 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7818 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0603 1.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0603 1.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6439 1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6439 1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8467 1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8467 1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5681 1.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5681 1.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0115 0.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0115 0.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8233 1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8233 1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9244 2.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9244 2.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5334 2.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5334 2.8207 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 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 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 20 32 1 0 0 0 0 | + | 20 32 1 0 0 0 0 |
| − | 7 24 1 0 0 0 0 | + | 7 24 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 33 42 1 0 0 0 0 | + | 33 42 1 0 0 0 0 |
| − | 30 37 1 0 0 0 0 | + | 30 37 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FABCS0011 | + | ID FL3FABCS0011 |
| − | FORMULA C28H32O14 | + | FORMULA C28H32O14 |
| − | EXACTMASS 592.179205732 | + | EXACTMASS 592.179205732 |
| − | AVERAGEMASS 592.54528 | + | AVERAGEMASS 592.54528 |
| − | SMILES O(C5CO)C(C(O)C(C5O)OC(O4)C(C(O)C(C4C)O)O)c(c31)c(O)cc(O)c1C(C=C(O3)c(c2)ccc(OC)c2)=O | + | SMILES O(C5CO)C(C(O)C(C5O)OC(O4)C(C(O)C(C4C)O)O)c(c31)c(O)cc(O)c1C(C=C(O3)c(c2)ccc(OC)c2)=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/
42 46 0 0 0 0 0 0 0 0999 V2000
1.4406 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7261 -0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0116 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0116 -1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7261 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4406 -1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7027 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4172 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4172 -1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7027 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0629 -0.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7027 -2.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7261 -2.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2223 -0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9368 -0.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6512 -0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6512 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9368 0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2223 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2664 0.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6867 2.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0698 1.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4661 0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2333 0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8501 0.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4538 1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1909 1.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4007 2.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1051 2.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4536 2.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7389 0.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9244 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9847 2.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7818 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0603 1.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6439 1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8467 1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5681 1.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0115 0.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8233 1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9244 2.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5334 2.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
20 32 1 0 0 0 0
7 24 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 42 1 0 0 0 0
30 37 1 0 0 0 0
S SKP 5
ID FL3FABCS0011
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES O(C5CO)C(C(O)C(C5O)OC(O4)C(C(O)C(C4C)O)O)c(c31)c(O)cc(O)c1C(C=C(O3)c(c2)ccc(OC)c2)=O
M END
