Mol:FL3FACCS0049
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.2580 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2580 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2580 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2580 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9725 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9725 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6869 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6869 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6869 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6869 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9725 1.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9725 1.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5043 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5043 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7899 0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7899 0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0755 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0755 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0755 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0755 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7899 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7899 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5043 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5043 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6390 0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6390 0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3535 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3535 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3535 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3535 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6390 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6390 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0245 0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0245 0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6390 -1.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6390 -1.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7899 -1.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7899 -1.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2983 1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2983 1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3890 0.1819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3890 0.1819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1515 -0.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1515 -0.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7390 -1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7390 -1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9410 -0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9410 -0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1478 -1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1478 -1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5602 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5602 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3583 -0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3583 -0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9623 0.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9623 0.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3890 -1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3890 -1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5051 -1.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5051 -1.4034 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 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 11 19 2 0 0 0 0 | + | 11 19 2 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 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 15 1 0 0 0 0 | + | 25 15 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0049 | + | ID FL3FACCS0049 |
| − | FORMULA C20H18O10 | + | FORMULA C20H18O10 |
| − | EXACTMASS 418.089996796 | + | EXACTMASS 418.089996796 |
| − | AVERAGEMASS 418.35092 | + | AVERAGEMASS 418.35092 |
| − | SMILES C(C(O)1)OC(c(c(O)4)c(O)c(C(=O)3)c(c4)OC(=C3)c(c2)cc(c(O)c2)O)C(O)C1O | + | SMILES C(C(O)1)OC(c(c(O)4)c(O)c(C(=O)3)c(c4)OC(=C3)c(c2)cc(c(O)c2)O)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/
30 33 0 0 0 0 0 0 0 0999 V2000
2.2580 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2580 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9725 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6869 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6869 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9725 1.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5043 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7899 0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0755 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0755 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7899 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5043 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6390 0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3535 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3535 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6390 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0245 0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6390 -1.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7899 -1.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2983 1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3890 0.1819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1515 -0.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7390 -1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9410 -0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1478 -1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5602 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3583 -0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9623 0.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3890 -1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5051 -1.4034 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 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 15 1 0 0 0 0
S SKP 5
ID FL3FACCS0049
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES C(C(O)1)OC(c(c(O)4)c(O)c(C(=O)3)c(c4)OC(=C3)c(c2)cc(c(O)c2)O)C(O)C1O
M END
