Mol:FL5FAGGS0020
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.2146 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2146 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5001 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5001 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5001 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5001 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2146 1.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2146 1.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9290 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9290 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9290 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9290 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2143 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2143 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9288 0.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9288 0.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6433 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6433 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6433 -0.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6433 -0.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9288 -1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9288 -1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2143 -0.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2143 -0.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3577 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3577 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0721 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0721 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0721 -0.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0721 -0.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3577 -1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3577 -1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9288 -2.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9288 -2.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7866 0.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7866 0.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5001 -1.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5001 -1.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3577 -2.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3577 -2.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6434 1.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6434 1.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2146 2.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2146 2.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6069 -0.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6069 -0.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9574 -1.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9574 -1.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0700 -2.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0700 -2.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5575 -1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 -1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3162 -1.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3162 -1.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2037 -0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2037 -0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7161 -1.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7161 -1.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7866 -1.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7866 -1.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5629 -2.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5629 -2.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5244 -2.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5244 -2.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5347 -1.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5347 -1.9524 0.0000 C 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 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 24 33 1 0 0 0 0 | + | 24 33 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGS0020 | + | ID FL5FAGGS0020 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES C(O1)(Oc(c2)c(O)c(O)cc(C(=C4O)Oc(c3)c(C4=O)c(cc(O)3)O)2)C(O)C(O)C(O)C(C)1 | + | SMILES C(O1)(Oc(c2)c(O)c(O)cc(C(=C4O)Oc(c3)c(C4=O)c(cc(O)3)O)2)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
1.2146 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5001 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5001 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2146 1.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9290 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9290 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2143 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9288 0.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6433 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6433 -0.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9288 -1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2143 -0.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3577 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0721 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0721 -0.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3577 -1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9288 -2.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7866 0.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5001 -1.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3577 -2.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6434 1.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2146 2.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6069 -0.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9574 -1.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0700 -2.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 -1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3162 -1.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2037 -0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7161 -1.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7866 -1.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5629 -2.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5244 -2.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5347 -1.9524 0.0000 C 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 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
6 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
27 30 1 0 0 0 0
26 31 1 0 0 0 0
25 32 1 0 0 0 0
24 33 1 0 0 0 0
28 23 1 0 0 0 0
S SKP 5
ID FL5FAGGS0020
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES C(O1)(Oc(c2)c(O)c(O)cc(C(=C4O)Oc(c3)c(C4=O)c(cc(O)3)O)2)C(O)C(O)C(O)C(C)1
M END
