Mol:FL5FFAGS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7790 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7790 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7790 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7790 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0645 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0645 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6501 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6501 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6501 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6501 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0645 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0645 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3646 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3646 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0791 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0791 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0791 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0791 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3646 0.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3646 0.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3646 -1.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3646 -1.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7933 0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7933 0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5216 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5216 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2499 0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2499 0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2499 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2499 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5216 1.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5216 1.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7933 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7933 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4932 0.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4932 0.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8453 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8453 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0645 -1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0645 -1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8719 1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8719 1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0645 1.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0645 1.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9108 0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9108 0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3023 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3023 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5494 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5494 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7920 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7920 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3724 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3724 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1533 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1533 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8719 0.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8719 0.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5494 1.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5494 1.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7920 -0.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7920 -0.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 18 27 1 0 0 0 0 | + | 18 27 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFAGS0001 | + | ID FL5FFAGS0001 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES C(O1)(Oc(c4O)cc(c(c34)C(C(O)=C(O3)c(c2)ccc(O)c2)=O)O)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c4O)cc(c(c34)C(C(O)=C(O3)c(c2)ccc(O)c2)=O)O)C(O)C(C(O)C1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.7790 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7790 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0645 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6501 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6501 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0645 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3646 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0791 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0791 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3646 0.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3646 -1.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7933 0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5216 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2499 0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2499 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5216 1.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7933 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4932 0.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8453 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0645 -1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8719 1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0645 1.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9108 0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3023 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5494 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7920 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3724 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1533 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8719 0.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5494 1.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7920 -0.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 1 0 0 0 0
6 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
24 29 1 0 0 0 0
25 30 1 0 0 0 0
26 31 1 0 0 0 0
18 27 1 0 0 0 0
S SKP 5
ID FL5FFAGS0001
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES C(O1)(Oc(c4O)cc(c(c34)C(C(O)=C(O3)c(c2)ccc(O)c2)=O)O)C(O)C(C(O)C1)O
M END
