Mol:FL5FGCNS0027
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0716 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0716 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0716 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0716 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5005 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5005 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3571 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3571 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3574 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3574 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3571 0.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3571 0.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5005 0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5005 0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5005 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5005 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7861 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7861 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0716 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0716 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3571 -1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3571 -1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2150 0.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2150 0.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0719 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0719 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2150 1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2150 1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9295 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9295 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2138 0.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2138 0.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9259 0.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9259 0.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 -1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 -1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2150 -1.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2150 -1.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9295 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9295 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7851 -0.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7851 -0.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5005 1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5005 1.8561 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 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 5 26 1 0 0 0 0 | + | 5 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGCNS0027 | + | ID FL5FGCNS0027 |
| − | KNApSAcK_ID C00013377 | + | KNApSAcK_ID C00013377 |
| − | NAME 5,7-Dihydroxy-3,6,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxy-4H-1-benzopyran-4-one | + | NAME 5,7-Dihydroxy-3,6,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 481-54-9 | + | CAS_RN 481-54-9 |
| − | FORMULA C20H20O9 | + | FORMULA C20H20O9 |
| − | EXACTMASS 404.11073223799997 | + | EXACTMASS 404.11073223799997 |
| − | AVERAGEMASS 404.3674 | + | AVERAGEMASS 404.3674 |
| − | SMILES c(c1)c(OC)c(cc1C(O3)=C(C(c(c32)c(c(c(O)c2OC)OC)O)=O)OC)OC | + | SMILES c(c1)c(OC)c(cc1C(O3)=C(C(c(c32)c(c(c(O)c2OC)OC)O)=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/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.0716 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0716 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3574 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 0.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 -1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2150 0.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0719 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9295 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2138 0.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9259 0.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 -1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2150 -1.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9295 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7851 -0.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 1.8561 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
3 21 1 0 0 0 0
20 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
6 25 1 0 0 0 0
5 26 1 0 0 0 0
26 27 1 0 0 0 0
19 28 1 0 0 0 0
21 29 1 0 0 0 0
S SKP 8
ID FL5FGCNS0027
KNApSAcK_ID C00013377
NAME 5,7-Dihydroxy-3,6,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 481-54-9
FORMULA C20H20O9
EXACTMASS 404.11073223799997
AVERAGEMASS 404.3674
SMILES c(c1)c(OC)c(cc1C(O3)=C(C(c(c32)c(c(c(O)c2OC)OC)O)=O)OC)OC
M END
