Mol:FL1DDANS0001
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 |
| − | -2.1793 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1793 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1793 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1793 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4648 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4648 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7504 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7504 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7504 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7504 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4648 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4648 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0096 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0096 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7080 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7080 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0096 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0096 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7080 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7080 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4240 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4240 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1385 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1385 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8530 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8530 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8530 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8530 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1385 1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1385 1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4240 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4240 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1591 0.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1591 0.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8533 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8533 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4985 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4985 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4648 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4648 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0941 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0941 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4985 1.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4985 1.9092 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DDANS0001 | + | ID FL1DDANS0001 |
| − | KNApSAcK_ID C00014600 | + | KNApSAcK_ID C00014600 |
| − | NAME Dihydroflavokawain C;4,2'-Dihydroxy-4',6'-dimethoxydihydrochalcone | + | NAME Dihydroflavokawain C;4,2'-Dihydroxy-4',6'-dimethoxydihydrochalcone |
| − | CAS_RN 42546-55-4 | + | CAS_RN 42546-55-4 |
| − | FORMULA C17H18O5 | + | FORMULA C17H18O5 |
| − | EXACTMASS 302.115423686 | + | EXACTMASS 302.115423686 |
| − | AVERAGEMASS 302.32182 | + | AVERAGEMASS 302.32182 |
| − | SMILES COc(c1)cc(OC)c(C(=O)CCc(c2)ccc(O)c2)c(O)1 | + | SMILES COc(c1)cc(OC)c(C(=O)CCc(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
-2.1793 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1793 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4648 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7504 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7504 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4648 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0096 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7080 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0096 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7080 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4240 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1385 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8530 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8530 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1385 1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4240 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1591 0.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8533 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4985 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4648 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0941 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4985 1.9092 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
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
S SKP 8
ID FL1DDANS0001
KNApSAcK_ID C00014600
NAME Dihydroflavokawain C;4,2'-Dihydroxy-4',6'-dimethoxydihydrochalcone
CAS_RN 42546-55-4
FORMULA C17H18O5
EXACTMASS 302.115423686
AVERAGEMASS 302.32182
SMILES COc(c1)cc(OC)c(C(=O)CCc(c2)ccc(O)c2)c(O)1
M END
