Mol:FL1DE9NS0003
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 |
| − | -1.8565 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8565 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8565 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8565 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1421 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1421 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4276 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4276 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4276 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4276 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1421 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1421 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3324 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3324 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0308 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0308 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3324 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3324 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0308 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0308 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7468 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7468 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4613 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4613 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1758 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1758 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1758 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1758 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4613 1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4613 1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7468 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7468 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1637 0.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1637 0.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1421 1.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1421 1.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5306 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5306 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1758 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1758 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1421 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1421 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7713 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7713 -1.9490 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 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 FL1DE9NS0003 | + | ID FL1DE9NS0003 |
| − | KNApSAcK_ID C00014598 | + | KNApSAcK_ID C00014598 |
| − | NAME 2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone | + | NAME 2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone |
| − | CAS_RN 54299-22-8 | + | CAS_RN 54299-22-8 |
| − | FORMULA C17H18O5 | + | FORMULA C17H18O5 |
| − | EXACTMASS 302.115423686 | + | EXACTMASS 302.115423686 |
| − | AVERAGEMASS 302.32182 | + | AVERAGEMASS 302.32182 |
| − | SMILES COc(c1)c(O)c(O)c(C(=O)CCc(c2)cccc2)c(OC)1 | + | SMILES COc(c1)c(O)c(O)c(C(=O)CCc(c2)cccc2)c(OC)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
-1.8565 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8565 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1421 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4276 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4276 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1421 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3324 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0308 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3324 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0308 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7468 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4613 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1758 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1758 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4613 1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7468 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1637 0.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1421 1.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5306 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1758 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1421 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7713 -1.9490 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
6 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 8
ID FL1DE9NS0003
KNApSAcK_ID C00014598
NAME 2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone
CAS_RN 54299-22-8
FORMULA C17H18O5
EXACTMASS 302.115423686
AVERAGEMASS 302.32182
SMILES COc(c1)c(O)c(O)c(C(=O)CCc(c2)cccc2)c(OC)1
M END
