Mol:FL3FAACS0079
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
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| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
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| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
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| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 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 7 1 0 0 0 0 | + | 24 7 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 30 39 1 0 0 0 0 | + | 30 39 1 0 0 0 0 |
| − | 34 27 1 0 0 0 0 | + | 34 27 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0079 | + | ID FL3FAACS0079 |
| − | FORMULA C26H28O13 | + | FORMULA C26H28O13 |
| − | EXACTMASS 548.152990982 | + | EXACTMASS 548.152990982 |
| − | AVERAGEMASS 548.49272 | + | AVERAGEMASS 548.49272 |
| − | SMILES C(C(O)1)(C(C(OC(C5O)COC(C5O)c(c4O)c(O2)c(c(O)c4)C(=O)C=C2c(c3)ccc(O)c3)OC1C)O)O | + | SMILES C(C(O)1)(C(C(OC(C5O)COC(C5O)c(c4O)c(O2)c(c(O)c4)C(=O)C=C2c(c3)ccc(O)c3)OC1C)O)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/
39 43 0 0 0 0 0 0 0 0999 V2000
0.8732 -1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1587 -1.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5557 -1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5557 -2.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1587 -3.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8732 -2.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2702 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9846 -1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9846 -2.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2702 -3.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6303 -1.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2702 -3.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1601 -3.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6550 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3694 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0839 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0839 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3694 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6550 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6991 -0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2 3 1 0 0 0 0
3 4 2 0 0 0 0
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5 6 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 14 1 0 0 0 0
14 15 2 0 0 0 0
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16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 7 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
33 36 1 0 0 0 0
32 37 1 0 0 0 0
31 38 1 0 0 0 0
30 39 1 0 0 0 0
34 27 1 0 0 0 0
S SKP 5
ID FL3FAACS0079
FORMULA C26H28O13
EXACTMASS 548.152990982
AVERAGEMASS 548.49272
SMILES C(C(O)1)(C(C(OC(C5O)COC(C5O)c(c4O)c(O2)c(c(O)c4)C(=O)C=C2c(c3)ccc(O)c3)OC1C)O)O
M END
