Mol:FL5FFGNS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0715 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0715 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0715 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0715 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7860 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7860 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5005 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5005 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5005 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5005 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7860 -1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7860 -1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3570 -1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3570 -1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3575 -1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3575 -1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -0.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3571 0.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3571 0.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5005 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5005 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5005 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5005 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7860 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7860 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0716 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0716 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3570 -2.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3570 -2.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2150 0.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2150 0.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0719 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0719 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2150 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2150 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7860 -2.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7860 -2.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7860 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7860 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0719 -2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0719 -2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9295 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9295 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2138 -0.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2138 -0.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7860 1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7860 1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9259 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9259 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9295 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9295 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0716 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0716 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0727 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0727 -2.6812 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 |
| − | 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 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFGNS0009 | + | ID FL5FFGNS0009 |
| − | KNApSAcK_ID C00013381 | + | KNApSAcK_ID C00013381 |
| − | NAME 8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone;8-Hydroxy-3,5,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one | + | NAME 8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone;8-Hydroxy-3,5,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 202846-95-5 | + | CAS_RN 202846-95-5 |
| − | FORMULA C21H22O9 | + | FORMULA C21H22O9 |
| − | EXACTMASS 418.126382302 | + | EXACTMASS 418.126382302 |
| − | AVERAGEMASS 418.39398 | + | AVERAGEMASS 418.39398 |
| − | SMILES COc(c3OC)c(cc(c3)C(O2)=C(C(c(c21)c(cc(c1O)OC)OC)=O)OC)OC | + | SMILES COc(c3OC)c(cc(c3)C(O2)=C(C(c(c21)c(cc(c1O)OC)OC)=O)OC)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.0715 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0715 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 -1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3570 -1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3575 -1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 0.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7860 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3570 -2.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2150 0.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0719 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 -2.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7860 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0719 -2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9295 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2138 -0.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9259 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9295 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0727 -2.6812 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
4 18 1 0 0 0 0
8 19 1 0 0 0 0
14 20 1 0 0 0 0
6 21 1 0 0 0 0
15 22 1 0 0 0 0
19 23 1 0 0 0 0
18 24 1 0 0 0 0
13 25 1 0 0 0 0
3 26 1 0 0 0 0
25 27 1 0 0 0 0
20 28 1 0 0 0 0
22 29 1 0 0 0 0
21 30 1 0 0 0 0
S SKP 8
ID FL5FFGNS0009
KNApSAcK_ID C00013381
NAME 8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone;8-Hydroxy-3,5,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 202846-95-5
FORMULA C21H22O9
EXACTMASS 418.126382302
AVERAGEMASS 418.39398
SMILES COc(c3OC)c(cc(c3)C(O2)=C(C(c(c21)c(cc(c1O)OC)OC)=O)OC)OC
M END
