Mol:FL5FDANI0001
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0938 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0938 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0938 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0938 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5375 -0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5375 -0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9812 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9812 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9812 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9812 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5375 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5375 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4249 -0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4249 -0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8686 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8686 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8686 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8686 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4249 0.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4249 0.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4249 -1.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4249 -1.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3125 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3125 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2544 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2544 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8214 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8214 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8214 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8214 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2544 1.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2544 1.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3125 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3125 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5370 -1.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5370 -1.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6507 0.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6507 0.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3882 1.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3882 1.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9538 1.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9538 1.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5195 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5195 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0851 1.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0851 1.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0851 0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0851 0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6507 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6507 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0026 -1.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0026 -1.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8634 -1.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8634 -1.5411 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 |
| − | 18 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 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 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 8 26 1 0 0 0 0 | + | 8 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -0.6584 -0.7261 | + | M SVB 1 28 -0.6584 -0.7261 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDANI0001 | + | ID FL5FDANI0001 |
| − | KNApSAcK_ID C00004991 | + | KNApSAcK_ID C00004991 |
| − | NAME 5,7-Dihydroxy-3-methoxy-4'-prenyloxyflavone | + | NAME 5,7-Dihydroxy-3-methoxy-4'-prenyloxyflavone |
| − | CAS_RN 145631-54-5 | + | CAS_RN 145631-54-5 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES c(c3)(ccc(OCC=C(C)C)c3)C(=C2OC)Oc(c1)c(C2=O)c(cc(O)1)O | + | SMILES c(c3)(ccc(OCC=C(C)C)c3)C(=C2OC)Oc(c1)c(C2=O)c(cc(O)1)O |
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 29 0 0 0 0 0 0 0 0999 V2000
-3.0938 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0938 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5375 -0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9812 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9812 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5375 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4249 -0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8686 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8686 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4249 0.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4249 -1.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3125 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2544 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8214 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8214 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2544 1.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3125 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5370 -1.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6507 0.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3882 1.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9538 1.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5195 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0851 1.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0851 0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6507 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0026 -1.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8634 -1.5411 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
18 3 1 0 0 0 0
19 1 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -0.6584 -0.7261
S SKP 8
ID FL5FDANI0001
KNApSAcK_ID C00004991
NAME 5,7-Dihydroxy-3-methoxy-4'-prenyloxyflavone
CAS_RN 145631-54-5
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES c(c3)(ccc(OCC=C(C)C)c3)C(=C2OC)Oc(c1)c(C2=O)c(cc(O)1)O
M END
