Mol:FL3FAADS0034
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 51 56 0 0 0 0 0 0 0 0999 V2000 | + | 51 56 0 0 0 0 0 0 0 0999 V2000 |
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| − | 35 11 1 0 0 0 0 | + | 35 11 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
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| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 46 24 1 0 0 0 0 | + | 46 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAADS0034 | + | ID FL3FAADS0034 |
| − | FORMULA C32H38O19 | + | FORMULA C32H38O19 |
| − | EXACTMASS 726.200729034 | + | EXACTMASS 726.200729034 |
| − | AVERAGEMASS 726.6327200000001 | + | AVERAGEMASS 726.6327200000001 |
| − | SMILES O(c(c(C(O6)C(C(O)C(O)C6CO)OC(O5)C(O)C(O)C(O)C5)4)cc(c(c4O)2)OC(c(c3)ccc(O)c3)=CC(=O)2)C(O1)C(C(O)C(O)C1CO)O | + | SMILES O(c(c(C(O6)C(C(O)C(O)C6CO)OC(O5)C(O)C(O)C(O)C5)4)cc(c(c4O)2)OC(c(c3)ccc(O)c3)=CC(=O)2)C(O1)C(C(O)C(O)C1CO)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
2.1032 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3888 0.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6743 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6743 -0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3888 -0.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1032 -0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0401 0.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7546 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7546 -0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0401 -0.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4256 0.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0401 -1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3888 -1.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5654 -0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9818 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2648 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4396 -0.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.7402 -0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3222 0.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9202 0.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.8849 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5994 0.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3139 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3139 1.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5994 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8849 1.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9290 1.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5145 1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10 12 1 0 0 0 0
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16 24 1 0 0 0 0
9 17 1 0 0 0 0
1 25 1 0 0 0 0
25 26 2 0 0 0 0
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28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 25 1 0 0 0 0
28 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
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32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
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43 44 1 1 0 0 0
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48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
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46 24 1 0 0 0 0
S SKP 5
ID FL3FAADS0034
FORMULA C32H38O19
EXACTMASS 726.200729034
AVERAGEMASS 726.6327200000001
SMILES O(c(c(C(O6)C(C(O)C(O)C6CO)OC(O5)C(O)C(O)C(O)C5)4)cc(c(c4O)2)OC(c(c3)ccc(O)c3)=CC(=O)2)C(O1)C(C(O)C(O)C1CO)O
M END
