Mol:FL3FECGS0008
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 |
| − | -0.2068 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2068 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2068 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2068 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4944 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4944 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1953 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1953 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1953 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1953 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4944 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4944 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8965 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8965 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5976 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5976 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5976 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5976 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8965 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8965 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8965 -2.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8965 -2.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2984 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2984 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0129 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0129 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7274 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7274 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7274 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7274 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0129 1.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0129 1.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2984 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2984 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0129 2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0129 2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6447 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6447 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4944 -2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4944 -2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9063 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9063 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9063 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9063 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9446 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9446 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1432 -1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1432 -1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9892 -0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9892 -0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8756 -0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8756 -0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6847 -0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6847 -0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6944 -0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6944 -0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6447 -0.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6447 -0.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0405 -1.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0405 -1.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1821 -1.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1821 -1.5210 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 |
| − | 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 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0008 | + | ID FL3FECGS0008 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES C(O1)(Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)C(O)C(C(O)C1)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
-0.2068 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2068 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4944 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1953 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1953 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4944 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8965 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5976 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5976 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8965 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8965 -2.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2984 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0129 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7274 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7274 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0129 1.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2984 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0129 2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6447 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4944 -2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9063 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9063 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9446 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1432 -1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9892 -0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8756 -0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6847 -0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6944 -0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6447 -0.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0405 -1.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1821 -1.5210 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 21 1 0 0 0 0
S SKP 5
ID FL3FECGS0008
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES C(O1)(Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)C(O)C(C(O)C1)O
M END
