Mol:FLIEACNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0044 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0044 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3296 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3296 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5607 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5607 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 0.2159 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 9 20 2 0 0 0 0 | + | 9 20 2 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIEACNS0001 | + | ID FLIEACNS0001 |
| − | KNApSAcK_ID C00009765 | + | KNApSAcK_ID C00009765 |
| − | NAME Demethylwedelolactone;Norwedelolactone;Desmethylwedelolactone | + | NAME Demethylwedelolactone;Norwedelolactone;Desmethylwedelolactone |
| − | CAS_RN 6468-55-9 | + | CAS_RN 6468-55-9 |
| − | FORMULA C15H8O7 | + | FORMULA C15H8O7 |
| − | EXACTMASS 300.02700261 | + | EXACTMASS 300.02700261 |
| − | AVERAGEMASS 300.21982 | + | AVERAGEMASS 300.21982 |
| − | SMILES Oc(c4)cc(O3)c(c(O)4)c(o1)c(C(=O)3)c(c2)c(cc(O)c(O)2)1 | + | SMILES Oc(c4)cc(O3)c(c(O)4)c(o1)c(C(=O)3)c(c2)c(cc(O)c(O)2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.0044 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3296 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 0.2159 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
18 1 1 0 0 0 0
12 17 1 0 0 0 0
14 19 1 0 0 0 0
9 20 2 0 0 0 0
3 21 1 0 0 0 0
15 22 1 0 0 0 0
S SKP 8
ID FLIEACNS0001
KNApSAcK_ID C00009765
NAME Demethylwedelolactone;Norwedelolactone;Desmethylwedelolactone
CAS_RN 6468-55-9
FORMULA C15H8O7
EXACTMASS 300.02700261
AVERAGEMASS 300.21982
SMILES Oc(c4)cc(O3)c(c(O)4)c(o1)c(C(=O)3)c(c2)c(cc(O)c(O)2)1
M END
