Mol:FL1DRTNS0009
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 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4729 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4729 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4729 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4729 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7584 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7584 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0439 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0439 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0439 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0439 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7584 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7584 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2840 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2840 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4144 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4144 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2840 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2840 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4144 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4144 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1305 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1305 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8449 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8449 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5594 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5594 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5594 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5594 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8449 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8449 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1305 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1305 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1469 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1469 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4999 1.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4999 1.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1469 1.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1469 1.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8449 -0.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8449 -0.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5328 -0.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5328 -0.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1946 1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1946 1.3263 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 |
| − | 14 19 1 0 0 0 0 | + | 14 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 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DRTNS0009 | + | ID FL1DRTNS0009 |
| − | KNApSAcK_ID C00014604 | + | KNApSAcK_ID C00014604 |
| − | NAME 4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone | + | NAME 4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone |
| − | CAS_RN 151752-08-8 | + | CAS_RN 151752-08-8 |
| − | FORMULA C17H18O5 | + | FORMULA C17H18O5 |
| − | EXACTMASS 302.115423686 | + | EXACTMASS 302.115423686 |
| − | AVERAGEMASS 302.32182 | + | AVERAGEMASS 302.32182 |
| − | SMILES COc(c1)c(CCC(=O)c(c2)ccc(O)c2)c(OC)cc(O)1 | + | SMILES COc(c1)c(CCC(=O)c(c2)ccc(O)c2)c(OC)cc(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-2.4729 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4729 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7584 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0439 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0439 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7584 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2840 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4144 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2840 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4144 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1305 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8449 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5594 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5594 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8449 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1305 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1469 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4999 1.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1469 1.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8449 -0.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5328 -0.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1946 1.3263 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
14 19 1 0 0 0 0
12 20 1 0 0 0 0
20 21 1 0 0 0 0
18 22 1 0 0 0 0
S SKP 8
ID FL1DRTNS0009
KNApSAcK_ID C00014604
NAME 4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone
CAS_RN 151752-08-8
FORMULA C17H18O5
EXACTMASS 302.115423686
AVERAGEMASS 302.32182
SMILES COc(c1)c(CCC(=O)c(c2)ccc(O)c2)c(OC)cc(O)1
M END
