Mol:FL1D1ANS0003
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 22 0 0 0 0 0 0 0 0999 V2000 | + | 21 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2047 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2047 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2047 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2047 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4902 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4902 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7757 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7757 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7757 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7757 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4902 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4902 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0157 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0157 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6826 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6826 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0157 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0157 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6826 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6826 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3987 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3987 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1132 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1132 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8276 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8276 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8276 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8276 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1132 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1132 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3987 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3987 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1636 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1636 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8504 0.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8504 0.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1636 1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1636 1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4601 0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4601 0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4601 1.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4601 1.7283 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 |
| − | 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 |
| − | 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 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1D1ANS0003 | + | ID FL1D1ANS0003 |
| − | KNApSAcK_ID C00014595 | + | KNApSAcK_ID C00014595 |
| − | NAME 4-Hydroxy-2',4'-dimethoxydihydrochalcone | + | NAME 4-Hydroxy-2',4'-dimethoxydihydrochalcone |
| − | CAS_RN 307500-80-7 | + | CAS_RN 307500-80-7 |
| − | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
| − | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
| − | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
| − | SMILES COc(c2)cc(OC)c(c2)C(=O)CCc(c1)ccc(O)c1 | + | SMILES COc(c2)cc(OC)c(c2)C(=O)CCc(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.2047 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2047 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4902 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7757 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7757 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4902 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0157 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6826 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0157 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6826 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3987 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1132 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8276 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8276 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1132 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3987 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1636 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8504 0.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1636 1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4601 0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4601 1.7283 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
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
17 19 1 0 0 0 0
18 20 1 0 0 0 0
14 21 1 0 0 0 0
S SKP 8
ID FL1D1ANS0003
KNApSAcK_ID C00014595
NAME 4-Hydroxy-2',4'-dimethoxydihydrochalcone
CAS_RN 307500-80-7
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c2)cc(OC)c(c2)C(=O)CCc(c1)ccc(O)c1
M END
