Mol:FL3FACCS0003
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 |
| − | -1.2892 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2892 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2892 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2892 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5748 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5748 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1397 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1397 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1397 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1397 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5748 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5748 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8543 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8543 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5687 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5687 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5687 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5687 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8543 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8543 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8543 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8543 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2828 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2828 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0110 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0110 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7392 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7392 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7392 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7392 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0110 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0110 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2828 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2828 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4672 1.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4672 1.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5748 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5748 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7915 -1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7915 -1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3147 -1.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3147 -1.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6283 -1.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6283 -1.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9660 -1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9660 -1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4472 -0.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4472 -0.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0479 -1.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0479 -1.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4672 -1.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4672 -1.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9890 -1.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9890 -1.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0442 -1.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0442 -1.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0034 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0034 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0110 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0110 2.2881 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 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 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0003 | + | ID FL3FACCS0003 |
| − | FORMULA C20H18O10 | + | FORMULA C20H18O10 |
| − | EXACTMASS 418.089996796 | + | EXACTMASS 418.089996796 |
| − | AVERAGEMASS 418.35092 | + | AVERAGEMASS 418.35092 |
| − | SMILES C(C(O)1)OC(c(c(O)4)c(O)c(C(=O)3)c(c4)OC(=C3)c(c2)cc(c(O)c2)O)C(O)C1O | + | SMILES C(C(O)1)OC(c(c(O)4)c(O)c(C(=O)3)c(c4)OC(=C3)c(c2)cc(c(O)c2)O)C(O)C1O |
M END | M END | ||
| − | |||
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
-1.2892 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2892 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5748 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1397 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1397 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5748 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8543 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5687 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5687 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8543 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8543 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2828 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0110 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7392 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7392 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0110 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2828 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4672 1.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5748 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7915 -1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3147 -1.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6283 -1.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9660 -1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4472 -0.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0479 -1.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4672 -1.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9890 -1.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0442 -1.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0034 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0110 2.2881 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
15 18 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 2 1 0 0 0 0
1 29 1 0 0 0 0
16 30 1 0 0 0 0
S SKP 5
ID FL3FACCS0003
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES C(C(O)1)OC(c(c(O)4)c(O)c(C(=O)3)c(c4)OC(=C3)c(c2)cc(c(O)c2)O)C(O)C1O
M END
