Mol:FL1D19NS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 20 0 0 0 0 0 0 0 0999 V2000 | + | 19 20 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8587 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8587 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8587 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8587 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1442 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1442 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4297 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4297 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4297 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4297 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1442 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1442 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3303 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3303 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0286 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0286 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3303 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3303 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0286 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0286 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7447 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7447 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4592 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4592 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1736 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1736 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1736 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1736 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4592 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4592 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7447 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7447 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1707 0.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1707 0.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5042 0.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5042 0.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1736 0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1736 0.1433 0.0000 C 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 |
| − | 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 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1D19NS0002 | + | ID FL1D19NS0002 |
| − | KNApSAcK_ID C00014591 | + | KNApSAcK_ID C00014591 |
| − | NAME 2'-Hydroxy-4'-methoxydihydrochalcone;2'-Hydroxy-4'-methoxy-3-phenylpropiophenone | + | NAME 2'-Hydroxy-4'-methoxydihydrochalcone;2'-Hydroxy-4'-methoxy-3-phenylpropiophenone |
| − | CAS_RN 22141-31-7 | + | CAS_RN 22141-31-7 |
| − | FORMULA C16H16O3 | + | FORMULA C16H16O3 |
| − | EXACTMASS 256.109944378 | + | EXACTMASS 256.109944378 |
| − | AVERAGEMASS 256.29643999999996 | + | AVERAGEMASS 256.29643999999996 |
| − | SMILES COc(c2)cc(O)c(c2)C(=O)CCc(c1)cccc1 | + | SMILES COc(c2)cc(O)c(c2)C(=O)CCc(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 20 0 0 0 0 0 0 0 0999 V2000
-1.8587 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8587 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1442 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4297 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4297 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1442 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3303 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0286 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3303 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0286 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7447 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1736 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1736 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7447 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1707 0.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5042 0.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1736 0.1433 0.0000 C 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
8 10 1 0 0 0 0
10 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
5 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
S SKP 8
ID FL1D19NS0002
KNApSAcK_ID C00014591
NAME 2'-Hydroxy-4'-methoxydihydrochalcone;2'-Hydroxy-4'-methoxy-3-phenylpropiophenone
CAS_RN 22141-31-7
FORMULA C16H16O3
EXACTMASS 256.109944378
AVERAGEMASS 256.29643999999996
SMILES COc(c2)cc(O)c(c2)C(=O)CCc(c1)cccc1
M END
