Mol:FL5FGCNS0025
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 29 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9669 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9669 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9669 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9669 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4106 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4106 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8543 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8543 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8543 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8543 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4106 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4106 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2980 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2583 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2583 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2583 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2583 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2980 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2980 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8144 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8144 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3813 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3813 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9483 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9483 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9483 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9483 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3813 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3813 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8144 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8144 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5779 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5779 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9554 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9554 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5779 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5779 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5923 0.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5923 0.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9554 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9554 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5359 1.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5359 1.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1243 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1243 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9904 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9904 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8471 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8471 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1326 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1326 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1326 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1326 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6962 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6962 1.9107 0.0000 C 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 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 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 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 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 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 28 29 | + | M SAL 3 2 28 29 |
| − | M SBL 3 1 32 | + | M SBL 3 1 32 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 32 -1.1326 1.011 | + | M SVB 3 32 -1.1326 1.011 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 -1.8471 -1.0073 | + | M SVB 2 30 -1.8471 -1.0073 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 0.4686 -0.7106 | + | M SVB 1 28 0.4686 -0.7106 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGCNS0025 | + | ID FL5FGCNS0025 |
| − | KNApSAcK_ID C00005067 | + | KNApSAcK_ID C00005067 |
| − | NAME 3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone;6-(1,3-Benzodioxol-5-yl)-4,7,9-trimethoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one | + | NAME 3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone;6-(1,3-Benzodioxol-5-yl)-4,7,9-trimethoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one |
| − | CAS_RN 80370-39-4 | + | CAS_RN 80370-39-4 |
| − | FORMULA C20H16O9 | + | FORMULA C20H16O9 |
| − | EXACTMASS 400.07943210999997 | + | EXACTMASS 400.07943210999997 |
| − | AVERAGEMASS 400.33564 | + | AVERAGEMASS 400.33564 |
| − | SMILES O(C1)c(c2)c(ccc2C(O3)=C(C(c(c(OC)4)c3c(OC)c(O5)c4OC5)=O)OC)O1 | + | SMILES O(C1)c(c2)c(ccc2C(O3)=C(C(c(c(OC)4)c3c(OC)c(O5)c4OC5)=O)OC)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
-1.9669 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9669 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3813 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9483 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9483 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3813 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5779 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9554 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5779 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5923 0.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9554 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5359 1.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1243 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9904 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8471 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6962 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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 1 2 0 0 0 0
4 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 15 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
6 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 32
M SMT 3 OCH3
M SVB 3 32 -1.1326 1.011
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 -1.8471 -1.0073
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 0.4686 -0.7106
S SKP 8
ID FL5FGCNS0025
KNApSAcK_ID C00005067
NAME 3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone;6-(1,3-Benzodioxol-5-yl)-4,7,9-trimethoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
CAS_RN 80370-39-4
FORMULA C20H16O9
EXACTMASS 400.07943210999997
AVERAGEMASS 400.33564
SMILES O(C1)c(c2)c(ccc2C(O3)=C(C(c(c(OC)4)c3c(OC)c(O5)c4OC5)=O)OC)O1
M END
