Mol:FL5FCEGS0001
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 |
| − | 1.7862 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 2.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 2.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 1.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 1.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 1.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 1.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -0.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -0.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 2.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 2.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 3.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 3.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9284 0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9284 0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9284 1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9284 1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4738 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4738 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7102 -3.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7102 -3.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4738 -1.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4738 -1.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0781 -2.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0781 -2.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8391 -2.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8391 -2.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7102 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7102 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1202 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1202 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8391 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8391 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2839 -3.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2839 -3.1556 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 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 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 30 25 1 1 0 0 0 | + | 30 25 1 1 0 0 0 |
| − | 29 25 1 1 0 0 0 | + | 29 25 1 1 0 0 0 |
| − | 28 30 1 1 0 0 0 | + | 28 30 1 1 0 0 0 |
| − | 30 26 1 0 0 0 0 | + | 30 26 1 0 0 0 0 |
| − | 31 28 1 0 0 0 0 | + | 31 28 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCEGS0001 | + | ID FL5FCEGS0001 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES Oc(c1)c(ccc1C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)OC(C(O)2)OC(C2O)CO)OC | + | SMILES Oc(c1)c(ccc1C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)OC(C(O)2)OC(C2O)CO)OC |
M END | M END | ||
| − | |||
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
1.7862 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 2.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 3.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9284 0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9284 1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4738 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7102 -3.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4738 -1.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0781 -2.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8391 -2.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7102 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1202 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8391 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2839 -3.1556 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 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
18 23 1 0 0 0 0
21 24 1 0 0 0 0
30 25 1 1 0 0 0
29 25 1 1 0 0 0
28 30 1 1 0 0 0
30 26 1 0 0 0 0
31 28 1 0 0 0 0
29 31 1 0 0 0 0
25 27 1 0 0 0 0
29 32 1 0 0 0 0
32 33 1 0 0 0 0
19 28 1 0 0 0 0
S SKP 5
ID FL5FCEGS0001
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES Oc(c1)c(ccc1C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)OC(C(O)2)OC(C2O)CO)OC
M END
