Mol:FL1D98NS0001
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 |
| − | -2.1933 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1933 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1933 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1933 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4788 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4788 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7644 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7644 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7644 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7644 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4788 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4788 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0044 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0044 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6940 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6940 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0044 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0044 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6940 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6940 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4101 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4101 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1245 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1245 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8390 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8390 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8390 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8390 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1245 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1245 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4101 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4101 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8390 0.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8390 0.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7785 1.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7785 1.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1492 1.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1492 1.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1245 -0.5711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1245 -0.5711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7987 -0.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7987 -0.9603 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1D98NS0001 | + | ID FL1D98NS0001 |
| − | KNApSAcK_ID C00014597 | + | KNApSAcK_ID C00014597 |
| − | NAME 4'-Hydroxy-2,6-dimethoxydihydrochalcone | + | NAME 4'-Hydroxy-2,6-dimethoxydihydrochalcone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
| − | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
| − | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
| − | SMILES COc(c1)c(CCC(=O)c(c2)ccc(O)c2)c(OC)cc1 | + | SMILES COc(c1)c(CCC(=O)c(c2)ccc(O)c2)c(OC)cc1 |
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
-2.1933 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1933 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4788 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7644 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7644 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4788 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0044 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6940 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0044 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6940 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4101 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1245 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8390 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8390 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1245 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4101 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8390 0.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7785 1.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1492 1.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1245 -0.5711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7987 -0.9603 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
1 17 1 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
12 20 1 0 0 0 0
20 21 1 0 0 0 0
S SKP 8
ID FL1D98NS0001
KNApSAcK_ID C00014597
NAME 4'-Hydroxy-2,6-dimethoxydihydrochalcone
CAS_RN -
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c1)c(CCC(=O)c(c2)ccc(O)c2)c(OC)cc1
M END
