Mol:FL5FFCNS0034
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 |
| − | -1.0716 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0716 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0716 0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0716 0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 -0.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 -0.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3571 -0.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3571 -0.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3574 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3574 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3571 0.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3571 0.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7861 0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7861 0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7861 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7861 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0716 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0716 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3571 -1.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3571 -1.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2150 0.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2150 0.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0718 -0.8255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0718 -0.8255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 -1.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 -1.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0718 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0718 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2150 2.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2150 2.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 1.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 1.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4994 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4994 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2139 0.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2139 0.4130 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 |
| − | 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 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 FL5FFCNS0034 | + | ID FL5FFCNS0034 |
| − | KNApSAcK_ID C00013367 | + | KNApSAcK_ID C00013367 |
| − | NAME 7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-7,8-dihydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one | + | NAME 7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-7,8-dihydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 637774-70-0 | + | CAS_RN 637774-70-0 |
| − | FORMULA C17H14O8 | + | FORMULA C17H14O8 |
| − | EXACTMASS 346.068867424 | + | EXACTMASS 346.068867424 |
| − | AVERAGEMASS 346.28826 | + | AVERAGEMASS 346.28826 |
| − | SMILES COc(c1)c(C(=O)2)c(OC(c(c3)cc(O)c(O)c3)=C(OC)2)c(O)c(O)1 | + | SMILES COc(c1)c(C(=O)2)c(OC(c(c3)cc(O)c(O)c3)=C(OC)2)c(O)c(O)1 |
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
-1.0716 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0716 0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 -0.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 -0.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3574 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 0.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 -1.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2150 0.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0718 -0.8255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 -1.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0718 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 2.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 1.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4994 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2139 0.4130 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
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
4 18 1 0 0 0 0
8 19 1 0 0 0 0
6 20 1 0 0 0 0
19 21 1 0 0 0 0
14 22 1 0 0 0 0
3 23 1 0 0 0 0
20 24 1 0 0 0 0
13 25 1 0 0 0 0
S SKP 8
ID FL5FFCNS0034
KNApSAcK_ID C00013367
NAME 7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-7,8-dihydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 637774-70-0
FORMULA C17H14O8
EXACTMASS 346.068867424
AVERAGEMASS 346.28826
SMILES COc(c1)c(C(=O)2)c(OC(c(c3)cc(O)c(O)c3)=C(OC)2)c(O)c(O)1
M END
