Mol:FL5FAGGS0034
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 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7862 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 2.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 2.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 2.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 2.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -0.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -0.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -0.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -0.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -0.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 2.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 2.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 3.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 3.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1786 0.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1786 0.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4561 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4561 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8688 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8688 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0753 -1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0753 -1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7230 -1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7230 -1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1358 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1358 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3422 -1.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3422 -1.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5309 -2.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5309 -2.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3431 -1.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3431 -1.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0669 -1.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0669 -1.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7406 -2.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7406 -2.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5295 -3.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5295 -3.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1426 -3.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1426 -3.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0398 -3.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0398 -3.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1148 -1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1148 -1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5364 -1.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5364 -1.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5133 -2.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5133 -2.3111 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 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 33 27 1 0 0 0 0 | + | 33 27 1 0 0 0 0 |
| − | 28 19 1 0 0 0 0 | + | 28 19 1 0 0 0 0 |
| − | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGS0034 | + | ID FL5FAGGS0034 |
| − | FORMULA C25H24O14 | + | FORMULA C25H24O14 |
| − | EXACTMASS 548.116605476 | + | EXACTMASS 548.116605476 |
| − | AVERAGEMASS 548.44966 | + | AVERAGEMASS 548.44966 |
| − | SMILES CC(=O)OC(C4OC(C)=O)C(C)OC(C4O)OC(C1=O)=C(c(c3)cc(c(c(O)3)O)O)Oc(c2)c1c(O)cc2O | + | SMILES CC(=O)OC(C4OC(C)=O)C(C)OC(C4O)OC(C1=O)=C(c(c3)cc(c(c(O)3)O)O)Oc(c2)c1c(O)cc2O |
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 42 0 0 0 0 0 0 0 0999 V2000
1.7862 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 2.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 2.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 3.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1786 0.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4561 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8688 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0753 -1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7230 -1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1358 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3422 -1.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5309 -2.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3431 -1.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0669 -1.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7406 -2.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5295 -3.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1426 -3.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0398 -3.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1148 -1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5364 -1.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5133 -2.3111 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
26 30 1 0 0 0 0
25 31 1 0 0 0 0
24 32 1 0 0 0 0
33 27 1 0 0 0 0
28 19 1 0 0 0 0
30 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
31 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
S SKP 5
ID FL5FAGGS0034
FORMULA C25H24O14
EXACTMASS 548.116605476
AVERAGEMASS 548.44966
SMILES CC(=O)OC(C4OC(C)=O)C(C)OC(C4O)OC(C1=O)=C(c(c3)cc(c(c(O)3)O)O)Oc(c2)c1c(O)cc2O
M END
