Mol:FL4DACNS0001
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9807 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9807 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9807 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9807 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4627 -0.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4627 -0.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9447 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9447 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9447 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9447 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4627 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4627 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4267 -0.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4267 -0.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0913 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0913 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0913 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0913 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4267 0.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4267 0.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6757 0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6757 0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2338 0.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2338 0.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7918 0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7918 0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7918 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7918 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2338 1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2338 1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6757 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6757 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3330 0.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3330 0.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4627 -1.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4627 -1.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4267 -1.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4267 -1.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3330 1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3330 1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2378 0.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2378 0.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6494 -0.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6494 -0.9223 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 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 8 22 1 1 0 0 0 | + | 8 22 1 1 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACNS0001 | + | ID FL4DACNS0001 |
| − | KNApSAcK_ID C00000677 | + | KNApSAcK_ID C00000677 |
| − | NAME Dihydroquercetin;(2R,3R)-Taxifolin;Distylin | + | NAME Dihydroquercetin;(2R,3R)-Taxifolin;Distylin |
| − | CAS_RN 17654-26-1 | + | CAS_RN 17654-26-1 |
| − | FORMULA C15H12O7 | + | FORMULA C15H12O7 |
| − | EXACTMASS 304.058302738 | + | EXACTMASS 304.058302738 |
| − | AVERAGEMASS 304.25158 | + | AVERAGEMASS 304.25158 |
| − | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(O)c2 | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.9807 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9807 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4627 -0.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4627 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4267 -0.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0913 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0913 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4267 0.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6757 0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2338 0.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7918 0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7918 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2338 1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6757 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3330 0.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4627 -1.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4267 -1.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3330 1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2378 0.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6494 -0.9223 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
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
3 18 1 0 0 0 0
7 19 2 0 0 0 0
14 20 1 0 0 0 0
13 21 1 0 0 0 0
8 22 1 1 0 0 0
S SKP 8
ID FL4DACNS0001
KNApSAcK_ID C00000677
NAME Dihydroquercetin;(2R,3R)-Taxifolin;Distylin
CAS_RN 17654-26-1
FORMULA C15H12O7
EXACTMASS 304.058302738
AVERAGEMASS 304.25158
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(O)c2
M END
