Mol:FL5FDCNM0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6778 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6778 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6731 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6731 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0320 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0320 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7511 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7511 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7558 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7558 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0437 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0437 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1847 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1847 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4726 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4726 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3829 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3829 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1021 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1021 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1067 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1067 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3970 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3970 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8938 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8938 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8909 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8909 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1786 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1786 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4695 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4695 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3970 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3970 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0320 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0320 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6054 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6054 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7725 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7725 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4140 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4140 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0572 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0572 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7700 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7700 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5972 0.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5972 0.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6054 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6054 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 11 23 1 0 0 0 0 | + | 11 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDCNM0004 | + | ID FL5FDCNM0004 |
| − | KNApSAcK_ID C00013510 | + | KNApSAcK_ID C00013510 |
| − | NAME 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one | + | NAME 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one |
| − | CAS_RN 181884-08-2 | + | CAS_RN 181884-08-2 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c3C)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O | + | SMILES c(c3C)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-0.6778 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6731 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0320 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7511 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7558 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0437 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1847 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4726 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3829 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1021 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1067 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3970 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8938 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8909 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1786 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4695 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3970 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0320 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6054 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7725 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4140 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0572 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7700 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5972 0.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6054 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 2 0 0 0 0
7 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
14 19 1 0 0 0 0
10 20 1 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 0 0 0
11 23 1 0 0 0 0
13 24 1 0 0 0 0
20 25 1 0 0 0 0
S SKP 8
ID FL5FDCNM0004
KNApSAcK_ID C00013510
NAME 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
CAS_RN 181884-08-2
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c3C)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O
M END
