Mol:FLIE9CNM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 24 0 0 0 0 0 0 0 0999 V2000 | + | 21 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2825 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2825 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6119 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6119 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 1.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 1.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2825 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2825 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2825 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2825 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -0.7694 0.0000 C 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 1 0 0 0 0 | + | 7 16 1 0 0 0 0 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 8 17 1 0 0 0 0 | + | 8 17 1 0 0 0 0 |
| − | 17 9 1 0 0 0 0 | + | 17 9 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE9CNM0001 | + | ID FLIE9CNM0001 |
| − | KNApSAcK_ID C00010060 | + | KNApSAcK_ID C00010060 |
| − | NAME 8,9-Dihydroxy-1-methylcoumestan;Mutisifurocoumarin | + | NAME 8,9-Dihydroxy-1-methylcoumestan;Mutisifurocoumarin |
| − | CAS_RN 115532-07-5 | + | CAS_RN 115532-07-5 |
| − | FORMULA C16H10O5 | + | FORMULA C16H10O5 |
| − | EXACTMASS 282.05282343 | + | EXACTMASS 282.05282343 |
| − | AVERAGEMASS 282.2476 | + | AVERAGEMASS 282.2476 |
| − | SMILES Oc(c4)c(O)cc(c43)c(C(=O)1)c(o3)c(c(C)2)c(ccc2)O1 | + | SMILES Oc(c4)c(O)cc(c43)c(C(=O)1)c(o3)c(c(C)2)c(ccc2)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-2.2825 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6119 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 1.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2825 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2825 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.7694 0.0000 C 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 2 0 0 0 0
9 5 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 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 10 1 0 0 0 0
7 16 1 0 0 0 0
11 16 1 0 0 0 0
8 17 1 0 0 0 0
17 9 1 0 0 0 0
17 18 2 0 0 0 0
14 19 1 0 0 0 0
13 20 1 0 0 0 0
3 21 1 0 0 0 0
S SKP 8
ID FLIE9CNM0001
KNApSAcK_ID C00010060
NAME 8,9-Dihydroxy-1-methylcoumestan;Mutisifurocoumarin
CAS_RN 115532-07-5
FORMULA C16H10O5
EXACTMASS 282.05282343
AVERAGEMASS 282.2476
SMILES Oc(c4)c(O)cc(c43)c(C(=O)1)c(o3)c(c(C)2)c(ccc2)O1
M END
