Mol:FL3F98NS0013
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 |
| − | -2.8067 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8067 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8067 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8067 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2504 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2504 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6941 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6941 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6941 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6941 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2504 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2504 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1378 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1378 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5814 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5814 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5814 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5814 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1378 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1378 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1378 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1378 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0254 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0254 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5416 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5416 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1086 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1086 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1086 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1086 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5416 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5416 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0254 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0254 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6754 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6754 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5922 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5922 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2410 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2410 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8067 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8067 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2410 1.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2410 1.0541 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 FL3F98NS0013 | + | ID FL3F98NS0013 |
| − | KNApSAcK_ID C00003983 | + | KNApSAcK_ID C00003983 |
| − | NAME 2',5'-Dihydroxyflavone 5'-acetate | + | NAME 2',5'-Dihydroxyflavone 5'-acetate |
| − | CAS_RN 115219-85-7 | + | CAS_RN 115219-85-7 |
| − | FORMULA C17H12O5 | + | FORMULA C17H12O5 |
| − | EXACTMASS 296.068473494 | + | EXACTMASS 296.068473494 |
| − | AVERAGEMASS 296.27418 | + | AVERAGEMASS 296.27418 |
| − | SMILES CC(=O)Oc(c3)cc(c(O)c3)C(=C1)Oc(c2)c(ccc2)C(=O)1 | + | SMILES CC(=O)Oc(c3)cc(c(O)c3)C(=C1)Oc(c2)c(ccc2)C(=O)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
-2.8067 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8067 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2504 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6941 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6941 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2504 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1378 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5814 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5814 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1378 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1378 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0254 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5416 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1086 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1086 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5416 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0254 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6754 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5922 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8067 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 1.0541 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
14 18 1 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
S SKP 8
ID FL3F98NS0013
KNApSAcK_ID C00003983
NAME 2',5'-Dihydroxyflavone 5'-acetate
CAS_RN 115219-85-7
FORMULA C17H12O5
EXACTMASS 296.068473494
AVERAGEMASS 296.27418
SMILES CC(=O)Oc(c3)cc(c(O)c3)C(=C1)Oc(c2)c(ccc2)C(=O)1
M END
