Mol:FLIAACNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4064 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4064 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4064 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4064 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8501 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8501 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2938 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2938 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2938 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2938 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8501 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8501 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2625 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2625 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8188 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8188 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8188 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8188 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2625 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2625 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3749 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3749 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3749 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3749 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9697 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9697 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5645 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5645 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5645 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5645 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9697 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9697 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2625 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2625 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8501 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8501 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9625 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9625 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9627 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9627 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9627 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9627 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5188 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5188 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5188 -1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5188 -1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0749 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0749 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1125 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1125 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7955 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7955 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0749 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0749 -0.9018 0.0000 O 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 14 1 0 0 0 0 | + | 27 14 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAACNI0001 | + | ID FLIAACNI0001 |
| − | KNApSAcK_ID C00009505 | + | KNApSAcK_ID C00009505 |
| − | NAME Derrubone;5,7-Dihydroxy-3',4'-methylenedioxy-6-prenylisoflavone | + | NAME Derrubone;5,7-Dihydroxy-3',4'-methylenedioxy-6-prenylisoflavone |
| − | CAS_RN 22044-58-2 | + | CAS_RN 22044-58-2 |
| − | FORMULA C21H18O6 | + | FORMULA C21H18O6 |
| − | EXACTMASS 366.110338308 | + | EXACTMASS 366.110338308 |
| − | AVERAGEMASS 366.36402 | + | AVERAGEMASS 366.36402 |
| − | SMILES O(C1)c(c2)c(ccc(C(=C4)C(=O)c(c3O)c(O4)cc(c(CC=C(C)C)3)O)2)O1 | + | SMILES O(C1)c(c2)c(ccc(C(=C4)C(=O)c(c3O)c(O4)cc(c(CC=C(C)C)3)O)2)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.4064 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4064 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8501 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2938 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2938 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8501 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2625 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2625 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3749 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3749 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9697 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5645 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5645 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9697 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2625 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8501 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9625 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9627 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9627 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5188 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5188 -1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0749 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1125 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7955 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0749 -0.9018 0.0000 O 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
8 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 2 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
13 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 14 1 0 0 0 0
S SKP 8
ID FLIAACNI0001
KNApSAcK_ID C00009505
NAME Derrubone;5,7-Dihydroxy-3',4'-methylenedioxy-6-prenylisoflavone
CAS_RN 22044-58-2
FORMULA C21H18O6
EXACTMASS 366.110338308
AVERAGEMASS 366.36402
SMILES O(C1)c(c2)c(ccc(C(=C4)C(=O)c(c3O)c(O4)cc(c(CC=C(C)C)3)O)2)O1
M END
