Mol:FL4DACGS0003
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 |
| − | -3.3504 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3504 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6362 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6362 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9221 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9221 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9221 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9221 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6362 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6362 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3504 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3504 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2079 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2079 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4936 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4936 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4936 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4936 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2079 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2079 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2079 -2.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2079 -2.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3012 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3012 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0261 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0261 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7511 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7511 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7511 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7511 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0261 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0261 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3012 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3012 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9684 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9684 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1483 -1.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1483 -1.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4761 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4761 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6362 -2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6362 -2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0261 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0261 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5126 -1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5126 -1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1001 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1001 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8934 -1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8934 -1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6914 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6914 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3230 -1.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3230 -1.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3106 -1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3106 -1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8716 -1.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8716 -1.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8861 -0.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8861 -0.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9684 -1.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9684 -1.3295 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0003 | + | ID FL4DACGS0003 |
| − | FORMULA C20H20O11 | + | FORMULA C20H20O11 |
| − | EXACTMASS 436.100561482 | + | EXACTMASS 436.100561482 |
| − | AVERAGEMASS 436.3662 | + | AVERAGEMASS 436.3662 |
| − | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O | + | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(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
-3.3504 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6362 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9221 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9221 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6362 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3504 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2079 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4936 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4936 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2079 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2079 -2.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3012 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0261 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7511 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7511 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0261 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3012 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9684 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1483 -1.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4761 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6362 -2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0261 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5126 -1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1001 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8934 -1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6914 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3230 -1.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3106 -1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8716 -1.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8861 -0.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9684 -1.3295 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 6 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
16 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 19 1 0 0 0 0
S SKP 5
ID FL4DACGS0003
FORMULA C20H20O11
EXACTMASS 436.100561482
AVERAGEMASS 436.3662
SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O
M END
