Mol:FL3F98NS0015
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -1.4437 0.0000 C 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 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F98NS0015 | + | ID FL3F98NS0015 |
| − | KNApSAcK_ID C00013325 | + | KNApSAcK_ID C00013325 |
| − | NAME 5,4',5'-Trihydroxy-6,2'-dimethoxyflavone;2-(4,5-Dihydroxy-2-methoxyphenyl)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one | + | NAME 5,4',5'-Trihydroxy-6,2'-dimethoxyflavone;2-(4,5-Dihydroxy-2-methoxyphenyl)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 133538-68-8 | + | CAS_RN 133538-68-8 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c3)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)c(OC)cc(O)c(O)1 | + | SMILES COc(c3)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)c(OC)cc(O)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -1.4437 0.0000 C 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 2 1 0 0 0 0
9 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
7 17 2 0 0 0 0
6 18 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
12 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 8
ID FL3F98NS0015
KNApSAcK_ID C00013325
NAME 5,4',5'-Trihydroxy-6,2'-dimethoxyflavone;2-(4,5-Dihydroxy-2-methoxyphenyl)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one
CAS_RN 133538-68-8
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)c(OC)cc(O)c(O)1
M END
