Mol:FL3FA9NM0007
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 20 22 2 0 0 0 0 | + | 20 22 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NM0007 | + | ID FL3FA9NM0007 |
| − | KNApSAcK_ID C00013391 | + | KNApSAcK_ID C00013391 |
| − | NAME Unonal;5,7-Dihydroxy-8-methyl-4-oxo-2-phenyl-4H-1-benzopyran-6-carboxaldehyde | + | NAME Unonal;5,7-Dihydroxy-8-methyl-4-oxo-2-phenyl-4H-1-benzopyran-6-carboxaldehyde |
| − | CAS_RN 59677-74-6 | + | CAS_RN 59677-74-6 |
| − | FORMULA C17H12O5 | + | FORMULA C17H12O5 |
| − | EXACTMASS 296.068473494 | + | EXACTMASS 296.068473494 |
| − | AVERAGEMASS 296.27418 | + | AVERAGEMASS 296.27418 |
| − | SMILES O=Cc(c(O)1)c(O)c(C(=O)3)c(OC(=C3)c(c2)cccc2)c(C)1 | + | SMILES O=Cc(c(O)1)c(O)c(C(=O)3)c(OC(=C3)c(c2)cccc2)c(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 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 2 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 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 11 1 0 0 0 0
7 17 2 0 0 0 0
4 18 1 0 0 0 0
6 19 1 0 0 0 0
5 20 1 0 0 0 0
3 21 1 0 0 0 0
20 22 2 0 0 0 0
S SKP 8
ID FL3FA9NM0007
KNApSAcK_ID C00013391
NAME Unonal;5,7-Dihydroxy-8-methyl-4-oxo-2-phenyl-4H-1-benzopyran-6-carboxaldehyde
CAS_RN 59677-74-6
FORMULA C17H12O5
EXACTMASS 296.068473494
AVERAGEMASS 296.27418
SMILES O=Cc(c(O)1)c(O)c(C(=O)3)c(OC(=C3)c(c2)cccc2)c(C)1
M END
