Mol:FL3FCKGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.2486 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2486 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2486 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2486 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9631 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9631 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6776 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6776 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6776 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6776 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9631 1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9631 1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5342 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5342 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8197 0.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8197 0.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1052 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1052 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1052 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1052 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8197 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8197 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5342 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5342 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3908 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3908 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3237 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3237 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3237 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3237 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3908 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3908 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8197 -2.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8197 -2.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0382 0.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0382 0.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3908 -2.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3908 -2.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3920 1.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3920 1.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9631 2.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9631 2.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3920 -0.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3920 -0.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1064 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1064 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1064 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1064 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6960 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6960 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6776 2.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6776 2.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3435 -2.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3435 -2.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8106 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8106 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0624 -2.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0624 -2.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2415 -2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2415 -2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7743 -1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7743 -1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5226 -2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5226 -2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0478 -1.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0478 -1.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7754 -1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7754 -1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8141 -2.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8141 -2.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5207 -2.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5207 -2.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4972 -2.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4972 -2.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4842 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4842 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0717 -2.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0717 -2.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2737 -2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2737 -2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4804 -2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4804 -2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8929 -1.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8929 -1.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6910 -1.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6910 -1.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8425 -2.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8425 -2.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6999 -2.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6999 -2.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1064 -1.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1064 -1.7336 0.0000 O 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 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 29 37 1 0 0 0 0 | + | 29 37 1 0 0 0 0 |
| − | 30 19 1 0 0 0 0 | + | 30 19 1 0 0 0 0 |
| − | 38 39 1 1 0 0 0 | + | 38 39 1 1 0 0 0 |
| − | 39 40 1 1 0 0 0 | + | 39 40 1 1 0 0 0 |
| − | 41 40 1 1 0 0 0 | + | 41 40 1 1 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 38 1 0 0 0 0 | + | 43 38 1 0 0 0 0 |
| − | 40 44 1 0 0 0 0 | + | 40 44 1 0 0 0 0 |
| − | 39 45 1 0 0 0 0 | + | 39 45 1 0 0 0 0 |
| − | 38 46 1 0 0 0 0 | + | 38 46 1 0 0 0 0 |
| − | 41 34 1 0 0 0 0 | + | 41 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCKGS0004 | + | ID FL3FCKGS0004 |
| − | FORMULA C30H36O16 | + | FORMULA C30H36O16 |
| − | EXACTMASS 652.200335104 | + | EXACTMASS 652.200335104 |
| − | AVERAGEMASS 652.59724 | + | AVERAGEMASS 652.59724 |
| − | SMILES c(c1)(OC)cc(O4)c(C(=O)C=C4c(c5)cc(OC)c(c5OC)OC)c1OC(C2O)OC(COC(O3)C(O)C(C(C3)O)O)C(C(O)2)O | + | SMILES c(c1)(OC)cc(O4)c(C(=O)C=C4c(c5)cc(OC)c(c5OC)OC)c1OC(C2O)OC(COC(O3)C(O)C(C(C3)O)O)C(C(O)2)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/
46 50 0 0 0 0 0 0 0 0999 V2000
3.2486 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2486 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9631 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6776 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6776 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9631 1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5342 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8197 0.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1052 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1052 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8197 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5342 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3908 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3237 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3237 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3908 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8197 -2.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0382 0.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3908 -2.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3920 1.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9631 2.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3920 -0.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1064 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1064 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6960 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6776 2.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3435 -2.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8106 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0624 -2.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2415 -2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7743 -1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5226 -2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0478 -1.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7754 -1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8141 -2.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5207 -2.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4972 -2.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4842 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0717 -2.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2737 -2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4804 -2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8929 -1.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6910 -1.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8425 -2.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6999 -2.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1064 -1.7336 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
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
6 21 1 0 0 0 0
4 22 1 0 0 0 0
22 23 1 0 0 0 0
20 24 1 0 0 0 0
18 25 1 0 0 0 0
21 26 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 37 1 0 0 0 0
30 19 1 0 0 0 0
38 39 1 1 0 0 0
39 40 1 1 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 38 1 0 0 0 0
40 44 1 0 0 0 0
39 45 1 0 0 0 0
38 46 1 0 0 0 0
41 34 1 0 0 0 0
S SKP 5
ID FL3FCKGS0004
FORMULA C30H36O16
EXACTMASS 652.200335104
AVERAGEMASS 652.59724
SMILES c(c1)(OC)cc(O4)c(C(=O)C=C4c(c5)cc(OC)c(c5OC)OC)c1OC(C2O)OC(COC(O3)C(O)C(C(C3)O)O)C(C(O)2)O
M END
