Mol:FL3FACCS0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6073 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6073 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6073 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6073 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9114 -2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9114 -2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2155 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2155 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2155 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2155 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9114 -0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9114 -0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4804 -2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4804 -2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1762 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1762 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1762 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1762 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4804 -0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4804 -0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4804 -2.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4804 -2.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9114 -2.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9114 -2.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0266 -0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0266 -0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7600 -0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7600 -0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4933 -0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4933 -0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4933 0.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4933 0.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7600 0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7600 0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0266 0.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0266 0.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2261 0.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2261 0.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2115 -0.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2115 -0.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5639 0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5639 0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8534 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8534 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0789 1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0789 1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8534 1.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8534 1.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5639 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5639 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3385 1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3385 1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2256 2.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2256 2.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8534 2.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8534 2.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9025 1.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9025 1.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6246 0.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6246 0.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5983 1.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5983 1.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3858 1.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3858 1.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2261 1.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2261 1.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3858 2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3858 2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7600 1.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7600 1.8221 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 17 35 1 0 0 0 0 | + | 17 35 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0010 | + | ID FL3FACCS0010 |
| − | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
| − | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
| − | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
| − | SMILES O(C(C)=O)CC(O1)C(C(O)C(O)C(c(c42)c(O)cc(O)c2C(=O)C=C(O4)c(c3)ccc(c3O)O)1)O | + | SMILES O(C(C)=O)CC(O1)C(C(O)C(O)C(c(c42)c(O)cc(O)c2C(=O)C=C(O4)c(c3)ccc(c3O)O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-1.6073 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6073 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9114 -2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2155 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2155 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9114 -0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4804 -2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1762 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1762 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4804 -0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4804 -2.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9114 -2.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0266 -0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7600 -0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4933 -0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4933 0.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7600 0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0266 0.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2261 0.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2115 -0.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5639 0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8534 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0789 1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8534 1.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5639 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3385 1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2256 2.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8534 2.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9025 1.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6246 0.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 1.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3858 1.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2261 1.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3858 2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7600 1.8221 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
1 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
23 30 1 0 0 0 0
22 6 1 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
17 35 1 0 0 0 0
S SKP 5
ID FL3FACCS0010
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES O(C(C)=O)CC(O1)C(C(O)C(O)C(c(c42)c(O)cc(O)c2C(=O)C=C(O4)c(c3)ccc(c3O)O)1)O
M END
