Mol:FL5FECNS0045
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0913 -1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0913 -1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0866 -0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0866 -0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3815 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3815 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3377 -1.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3377 -1.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3424 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3424 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3698 0.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3698 0.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7713 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7713 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0592 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0592 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7963 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7963 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5155 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5155 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5202 -1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5202 -1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8104 -1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8104 -1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4803 0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4803 0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4775 1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4775 1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7652 1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7652 1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0561 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0561 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8104 -2.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8104 -2.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3815 -2.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3815 -2.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0006 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0006 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7652 2.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7652 2.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1085 1.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1085 1.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7874 1.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7874 1.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2987 0.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2987 0.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7874 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7874 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2987 -1.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2987 -1.2562 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 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 10 23 1 0 0 0 0 | + | 10 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 11 1 0 0 0 0 | + | 25 11 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNS0045 | + | ID FL5FECNS0045 |
| − | KNApSAcK_ID C00013514 | + | KNApSAcK_ID C00013514 |
| − | NAME 3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone;7,9-Dihydroxy-6-(3-hydroxy-4-methoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one | + | NAME 3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone;7,9-Dihydroxy-6-(3-hydroxy-4-methoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one |
| − | CAS_RN 261961-81-3 | + | CAS_RN 261961-81-3 |
| − | FORMULA C17H12O8 | + | FORMULA C17H12O8 |
| − | EXACTMASS 344.05321735999996 | + | EXACTMASS 344.05321735999996 |
| − | AVERAGEMASS 344.27238 | + | AVERAGEMASS 344.27238 |
| − | SMILES COc(c4)c(O)cc(c4)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O3)c(OC3)2)1 | + | SMILES COc(c4)c(O)cc(c4)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O3)c(OC3)2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.0913 -1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0866 -0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3815 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3377 -1.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3424 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3698 0.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7713 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0592 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7963 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5155 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5202 -1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8104 -1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4803 0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4775 1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7652 1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0561 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8104 -2.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3815 -2.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0006 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7652 2.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1085 1.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7874 1.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2987 0.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7874 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2987 -1.2562 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
4 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
10 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 11 1 0 0 0 0
S SKP 8
ID FL5FECNS0045
KNApSAcK_ID C00013514
NAME 3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone;7,9-Dihydroxy-6-(3-hydroxy-4-methoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
CAS_RN 261961-81-3
FORMULA C17H12O8
EXACTMASS 344.05321735999996
AVERAGEMASS 344.27238
SMILES COc(c4)c(O)cc(c4)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O3)c(OC3)2)1
M END
