Mol:FL3FACGS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1062 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1062 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1062 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1062 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5950 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5950 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2961 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2961 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2961 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2961 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5950 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5950 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9971 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9971 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6982 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6982 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6982 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6982 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9971 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9971 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9971 -2.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9971 -2.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3990 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3990 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1135 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1135 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8280 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8280 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8280 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8280 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1135 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1135 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3990 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3990 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9136 0.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9136 0.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5950 -2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5950 -2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1135 2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1135 2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5425 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5425 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8521 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8521 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0507 -0.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0507 -0.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8967 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8967 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7832 -0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7832 -0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5924 0.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5924 0.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6020 0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6020 0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5425 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5425 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9221 -0.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9221 -0.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9996 -0.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9996 -0.7225 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0005 | + | ID FL3FACGS0005 |
| − | FORMULA C20H18O10 | + | FORMULA C20H18O10 |
| − | EXACTMASS 418.089996796 | + | EXACTMASS 418.089996796 |
| − | AVERAGEMASS 418.35092 | + | AVERAGEMASS 418.35092 |
| − | SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(C(O)C2)O)cc(c(O)1)O | + | SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(C(O)C2)O)cc(c(O)1)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/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.1062 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1062 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5950 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2961 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2961 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5950 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9971 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9971 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9971 -2.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3990 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1135 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8280 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8280 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1135 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3990 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9136 0.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5950 -2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1135 2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5425 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8521 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0507 -0.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8967 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7832 -0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5924 0.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6020 0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5425 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9221 -0.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9996 -0.7225 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
S SKP 5
ID FL3FACGS0005
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(C(O)C2)O)cc(c(O)1)O
M END
