Mol:FL3FDCNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9926 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9926 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9926 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9926 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7071 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7071 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4215 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4215 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4215 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4215 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7071 -0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7071 -0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2781 -0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2781 -0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4363 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4363 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4363 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4363 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2781 0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2781 0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1508 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1508 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8653 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8653 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5798 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5798 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5798 1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5798 1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8653 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8653 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1508 1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1508 1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2781 -1.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2781 -1.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1360 0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1360 0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7071 -1.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7071 -1.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3644 0.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3644 0.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8493 1.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8493 1.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3644 1.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3644 1.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8493 0.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8493 0.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3700 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3700 -2.0476 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 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FDCNS0001 | + | ID FL3FDCNS0001 |
| − | KNApSAcK_ID C00013398 | + | KNApSAcK_ID C00013398 |
| − | NAME 5,7-Dimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5,7-dimethoxy-4H-1-benzopyran-4-one | + | NAME 5,7-Dimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5,7-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 89029-12-9 | + | CAS_RN 89029-12-9 |
| − | FORMULA C18H14O6 | + | FORMULA C18H14O6 |
| − | EXACTMASS 326.07903818 | + | EXACTMASS 326.07903818 |
| − | AVERAGEMASS 326.30016 | + | AVERAGEMASS 326.30016 |
| − | SMILES O(C(c(c4)cc(c3c4)OCO3)=2)c(c(C(=O)C2)1)cc(OC)cc1OC | + | SMILES O(C(c(c4)cc(c3c4)OCO3)=2)c(c(C(=O)C2)1)cc(OC)cc1OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-0.9926 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9926 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7071 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4215 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4215 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7071 -0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2781 -0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4363 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4363 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2781 0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1508 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8653 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5798 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5798 1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8653 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1508 1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2781 -1.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1360 0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7071 -1.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3644 0.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8493 1.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3644 1.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8493 0.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3700 -2.0476 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
6 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 14 1 0 0 0 0
18 23 1 0 0 0 0
19 24 1 0 0 0 0
S SKP 8
ID FL3FDCNS0001
KNApSAcK_ID C00013398
NAME 5,7-Dimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 89029-12-9
FORMULA C18H14O6
EXACTMASS 326.07903818
AVERAGEMASS 326.30016
SMILES O(C(c(c4)cc(c3c4)OCO3)=2)c(c(C(=O)C2)1)cc(OC)cc1OC
M END
