Mol:FL3FFAGS0001
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 |
| − | -0.3877 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3877 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3877 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3877 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3134 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3134 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0145 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0145 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0145 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0145 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3134 0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3134 0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7155 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7155 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4166 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4166 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4166 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4166 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7155 0.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7155 0.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7155 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7155 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1174 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1174 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8319 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8319 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5464 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5464 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5464 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5464 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8319 1.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8319 1.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1174 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1174 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3134 -1.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3134 -1.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6876 1.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6876 1.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3317 0.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3317 0.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9603 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9603 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2254 -0.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2254 -0.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1671 0.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1671 0.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1461 0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1461 0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8881 0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8881 0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8138 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8138 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6876 0.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6876 0.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0809 -0.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0809 -0.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4151 -0.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4151 -0.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3134 1.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3134 1.2914 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 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 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 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FFAGS0001 | + | ID FL3FFAGS0001 |
| − | FORMULA C20H18O10 | + | FORMULA C20H18O10 |
| − | EXACTMASS 418.089996796 | + | EXACTMASS 418.089996796 |
| − | AVERAGEMASS 418.35092 | + | AVERAGEMASS 418.35092 |
| − | SMILES C(O1)(Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)ccc(O)c3)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)ccc(O)c3)C(O)C(C(O)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/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.3877 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3877 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3134 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0145 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0145 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3134 0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7155 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4166 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4166 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7155 0.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7155 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1174 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8319 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5464 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5464 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8319 1.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1174 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3134 -1.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6876 1.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3317 0.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9603 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2254 -0.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1671 0.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1461 0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8881 0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8138 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6876 0.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0809 -0.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4151 -0.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3134 1.2914 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 3 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 20 1 0 0 0 0
6 30 1 0 0 0 0
S SKP 5
ID FL3FFAGS0001
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES C(O1)(Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)ccc(O)c3)C(O)C(C(O)C1)O
M END
