Mol:FL3FAACS0021
From Metabolomics.JP
(Difference between revisions)
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| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
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| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
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| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
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| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 33 23 1 0 0 0 0 | + | 33 23 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0021 | + | ID FL3FAACS0021 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES c(c35)(O)cc(c(c3OC(=CC5=O)c(c4)ccc(O)c4)C(C2O)OC(C(C(O)2)O)COC(O1)C(C(O)C(O)C1C)O)O | + | SMILES c(c35)(O)cc(c(c3OC(=CC5=O)c(c4)ccc(O)c4)C(C2O)OC(C(C(O)2)O)COC(O1)C(C(O)C(O)C1C)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/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.5020 -1.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5020 -1.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0730 -1.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0730 -1.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6414 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3559 -1.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3559 -1.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6414 -0.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6414 -2.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2162 -0.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4208 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4208 2.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9641 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6911 -1.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4180 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4180 0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6911 0.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9641 0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1444 0.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5155 1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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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
1 12 1 0 0 0 0
14 13 1 1 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 1 0 0 0
18 13 1 1 0 0 0
17 19 1 0 0 0 0
16 20 1 0 0 0 0
18 21 1 0 0 0 0
15 22 1 0 0 0 0
6 14 1 0 0 0 0
21 23 1 0 0 0 0
3 24 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 25 1 0 0 0 0
25 9 1 0 0 0 0
28 31 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
33 23 1 0 0 0 0
S SKP 5
ID FL3FAACS0021
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES c(c35)(O)cc(c(c3OC(=CC5=O)c(c4)ccc(O)c4)C(C2O)OC(C(C(O)2)O)COC(O1)C(C(O)C(O)C1C)O)O
M END
