Mol:FL1DRTNS0008
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 |
| − | -2.7652 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7652 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7652 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7652 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0507 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0507 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3362 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3362 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3362 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3362 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0507 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0507 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5762 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5762 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1221 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1221 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5762 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5762 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1221 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1221 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8382 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8382 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5527 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5527 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2671 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2671 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2671 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2671 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5527 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5527 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8382 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8382 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4392 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4392 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2076 1.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2076 1.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8547 1.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8547 1.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4392 1.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4392 1.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5527 -0.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5527 -0.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2405 -0.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2405 -0.9825 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DRTNS0008 | + | ID FL1DRTNS0008 |
| − | KNApSAcK_ID C00014603 | + | KNApSAcK_ID C00014603 |
| − | NAME 2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone | + | NAME 2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone |
| − | CAS_RN 151752-07-7 | + | CAS_RN 151752-07-7 |
| − | FORMULA C17H18O5 | + | FORMULA C17H18O5 |
| − | EXACTMASS 302.115423686 | + | EXACTMASS 302.115423686 |
| − | AVERAGEMASS 302.32182 | + | AVERAGEMASS 302.32182 |
| − | SMILES COc(c1)cc(OC)c(CCC(=O)c(c2)ccc(O)c2)c(O)1 | + | SMILES COc(c1)cc(OC)c(CCC(=O)c(c2)ccc(O)c2)c(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
-2.7652 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7652 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0507 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3362 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3362 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0507 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5762 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1221 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5762 -1.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1221 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8382 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5527 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2671 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2671 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5527 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8382 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4392 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2076 1.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8547 1.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4392 1.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5527 -0.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2405 -0.9825 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
19 20 1 0 0 0 0
12 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 8
ID FL1DRTNS0008
KNApSAcK_ID C00014603
NAME 2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone
CAS_RN 151752-07-7
FORMULA C17H18O5
EXACTMASS 302.115423686
AVERAGEMASS 302.32182
SMILES COc(c1)cc(OC)c(CCC(=O)c(c2)ccc(O)c2)c(O)1
M END
