Mol:FL5FAAGS0102
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.3905 3.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3905 3.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3905 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3905 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1050 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1050 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8195 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8195 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8195 3.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8195 3.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1050 3.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1050 3.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6760 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6760 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0385 2.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0385 2.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7529 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7529 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7529 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7529 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0385 0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0385 0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6760 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6760 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4674 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4674 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1819 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1819 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1819 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1819 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4674 0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4674 0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0385 0.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0385 0.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8963 2.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8963 2.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2823 0.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2823 0.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4202 3.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4202 3.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4674 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4674 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4990 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4990 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9519 -3.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9519 -3.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2021 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2021 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5476 -3.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5476 -3.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1932 -3.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1932 -3.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6086 -2.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6086 -2.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4337 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4337 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8432 -3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8432 -3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4277 -3.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4277 -3.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6027 -3.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6027 -3.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4202 -3.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4202 -3.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2709 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2709 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9115 -1.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9115 -1.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2547 -0.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2547 -0.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2804 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2804 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6360 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6360 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9127 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9127 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3228 -0.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3228 -0.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6360 -1.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6360 -1.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1401 -1.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1401 -1.6299 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 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 38 33 1 1 0 0 0 | + | 38 33 1 1 0 0 0 |
| − | 37 33 1 1 0 0 0 | + | 37 33 1 1 0 0 0 |
| − | 36 38 1 1 0 0 0 | + | 36 38 1 1 0 0 0 |
| − | 38 34 1 0 0 0 0 | + | 38 34 1 0 0 0 0 |
| − | 39 36 1 0 0 0 0 | + | 39 36 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 34 22 1 0 0 0 0 | + | 34 22 1 0 0 0 0 |
| − | 19 36 1 0 0 0 0 | + | 19 36 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0102 | + | ID FL5FAAGS0102 |
| − | FORMULA C29H24O12 | + | FORMULA C29H24O12 |
| − | EXACTMASS 564.126776232 | + | EXACTMASS 564.126776232 |
| − | AVERAGEMASS 564.49366 | + | AVERAGEMASS 564.49366 |
| − | SMILES O(C2CO)C(OC(C5=O)=C(Oc(c54)cc(O)cc4O)c(c3)ccc(c3)O)C(C(O)2)OC(=O)C=Cc(c1)ccc(c1)O | + | SMILES O(C2CO)C(OC(C5=O)=C(Oc(c54)cc(O)cc4O)c(c3)ccc(c3)O)C(C(O)2)OC(=O)C=Cc(c1)ccc(c1)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
1.3905 3.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3905 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1050 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8195 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8195 3.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1050 3.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6760 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 2.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7529 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7529 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6760 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4674 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1819 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1819 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4674 0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 0.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8963 2.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2823 0.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4202 3.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4674 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4990 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9519 -3.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2021 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5476 -3.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1932 -3.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6086 -2.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4337 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8432 -3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4277 -3.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -3.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4202 -3.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2709 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9115 -1.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2547 -0.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2804 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6360 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9127 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3228 -0.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6360 -1.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1401 -1.6299 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
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
38 33 1 1 0 0 0
37 33 1 1 0 0 0
36 38 1 1 0 0 0
38 34 1 0 0 0 0
39 36 1 0 0 0 0
37 39 1 0 0 0 0
33 35 1 0 0 0 0
37 40 1 0 0 0 0
40 41 1 0 0 0 0
34 22 1 0 0 0 0
19 36 1 0 0 0 0
S SKP 5
ID FL5FAAGS0102
FORMULA C29H24O12
EXACTMASS 564.126776232
AVERAGEMASS 564.49366
SMILES O(C2CO)C(OC(C5=O)=C(Oc(c54)cc(O)cc4O)c(c3)ccc(c3)O)C(C(O)2)OC(=O)C=Cc(c1)ccc(c1)O
M END
