Mol:FL3FACCS0038
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 |
| − | -1.8537 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8537 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8537 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8537 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1391 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1391 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4246 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4246 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4246 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4246 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1391 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1391 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2899 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2899 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0044 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0044 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0044 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0044 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2899 0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2899 0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1391 -2.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1391 -2.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7244 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7244 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4036 -0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4036 -0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0827 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0827 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0827 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0827 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4036 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4036 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7244 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7244 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7618 1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7618 1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2899 -2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2899 -2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0830 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0830 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6857 0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6857 0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8888 1.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8888 1.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1679 0.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1679 0.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5985 1.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5985 1.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3116 1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3116 1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7618 1.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7618 1.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4199 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4199 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5818 2.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5818 2.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7933 1.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7933 1.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5679 0.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5679 0.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4036 2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4036 2.2345 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 |
| − | 3 11 1 0 0 0 0 | + | 3 11 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0038 | + | ID FL3FACCS0038 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES c(O)(c2)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(c(O)2)C(C(O)1)OC(C)C(O)C1O | + | SMILES c(O)(c2)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(c(O)2)C(C(O)1)OC(C)C(O)C1O |
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
-1.8537 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8537 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1391 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4246 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4246 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1391 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2899 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0044 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0044 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2899 0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1391 -2.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7244 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4036 -0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0827 0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0827 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4036 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7244 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7618 1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2899 -2.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0830 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6857 0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8888 1.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1679 0.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5985 1.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3116 1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7618 1.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4199 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5818 2.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7933 1.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5679 0.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4036 2.2345 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
3 11 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
9 12 1 0 0 0 0
15 18 1 0 0 0 0
7 19 2 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
24 28 1 0 0 0 0
25 29 1 0 0 0 0
6 23 1 0 0 0 0
1 30 1 0 0 0 0
16 31 1 0 0 0 0
S SKP 5
ID FL3FACCS0038
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(O)(c2)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(c(O)2)C(C(O)1)OC(C)C(O)C1O
M END
