Mol:FL3FAGGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.5832 -0.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5832 -0.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5832 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5832 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8823 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8823 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1812 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1812 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1812 -0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1812 -0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8823 0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8823 0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4801 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4801 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7792 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7792 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7792 -0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7792 -0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4801 0.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4801 0.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4801 -2.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4801 -2.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0784 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0784 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3638 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3638 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3507 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3507 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3507 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3507 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3638 1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3638 1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0784 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0784 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8823 -2.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8823 -2.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2872 0.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2872 0.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3638 2.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3638 2.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0650 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0650 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2359 -0.2869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2359 -0.2869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8752 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8752 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8316 -0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8316 -0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0006 -1.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0006 -1.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8444 -2.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8444 -2.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8880 -1.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8880 -1.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7192 -1.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7192 -1.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9971 -0.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9971 -0.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4752 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4752 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2872 -2.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2872 -2.2069 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 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 |
| − | 25 26 1 1 0 0 0 | + | 25 26 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 24 22 1 0 0 0 0 | + | 24 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAGGS0002 | + | ID FL3FAGGS0002 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES O(C1)C(Oc(c2)c(O)c(O)cc(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)2)C(O)C(C(O)1)O | + | SMILES O(C1)C(Oc(c2)c(O)c(O)cc(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)2)C(O)C(C(O)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-4.5832 -0.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5832 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8823 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1812 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1812 -0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8823 0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4801 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7792 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7792 -0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4801 0.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4801 -2.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0784 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3638 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3507 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3507 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3638 1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0784 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8823 -2.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2872 0.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3638 2.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0650 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2359 -0.2869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8752 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8316 -0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0006 -1.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8444 -2.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8880 -1.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7192 -1.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9971 -0.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2872 -2.2069 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
14 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 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
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 22 1 0 0 0 0
S SKP 5
ID FL3FAGGS0002
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES O(C1)C(Oc(c2)c(O)c(O)cc(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)2)C(O)C(C(O)1)O
M END
