Mol:FL5FDCNM0003
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 |
| − | -1.0943 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0943 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0896 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0896 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3845 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3845 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3346 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3346 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3393 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3393 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3728 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3728 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7682 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7682 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0561 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0561 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7994 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7994 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5185 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5185 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5232 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5232 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8134 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8134 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4773 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4773 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4745 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4745 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7621 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7621 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0531 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0531 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8134 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8134 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3845 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3845 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1889 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1889 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1889 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1889 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9975 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9975 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6407 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6407 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7994 1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7994 1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1864 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1864 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1807 0.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1807 0.2025 0.0000 O 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 |
| − | 9 23 1 0 0 0 0 | + | 9 23 1 0 0 0 0 |
| − | 11 24 1 0 0 0 0 | + | 11 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDCNM0003 | + | ID FL5FDCNM0003 |
| − | KNApSAcK_ID C00013509 | + | KNApSAcK_ID C00013509 |
| − | NAME 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one | + | NAME 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one |
| − | CAS_RN 181884-07-1 | + | CAS_RN 181884-07-1 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c3C)(c(c(O1)c(c3O)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O)C)O | + | SMILES c(c3C)(c(c(O1)c(c3O)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O)C)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
-1.0943 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0896 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3845 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3346 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3393 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3728 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7682 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0561 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7994 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5185 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5232 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8134 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4773 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4745 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7621 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0531 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8134 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3845 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1889 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1889 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9975 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6407 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7994 1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1864 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1807 0.2025 0.0000 O 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
9 23 1 0 0 0 0
11 24 1 0 0 0 0
13 25 1 0 0 0 0
S SKP 8
ID FL5FDCNM0003
KNApSAcK_ID C00013509
NAME 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
CAS_RN 181884-07-1
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c3C)(c(c(O1)c(c3O)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O)C)O
M END
