Mol:FL1CAANI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 31 0 0 0 0 0 0 0 0999 V2000 | + | 30 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -2.4750 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 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CAANI0002 | + | ID FL1CAANI0002 |
| − | KNApSAcK_ID C00014471 | + | KNApSAcK_ID C00014471 |
| − | NAME 3'-Geranylchalconaringenin;3'-Geranyl-4,2',4',6'-tetrahydroxychalcone | + | NAME 3'-Geranylchalconaringenin;3'-Geranyl-4,2',4',6'-tetrahydroxychalcone |
| − | CAS_RN 189299-03-4 | + | CAS_RN 189299-03-4 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES Oc(c1)c(C(=O)C=Cc(c2)ccc(O)c2)c(O)c(CC=C(C)CCC=C(C)C)c(O)1 | + | SMILES Oc(c1)c(C(=O)C=Cc(c2)ccc(O)c2)c(O)c(CC=C(C)CCC=C(C)C)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 31 0 0 0 0 0 0 0 0999 V2000
-2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -2.4750 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
6 7 1 0 0 0 0
2 8 1 0 0 0 0
4 9 1 0 0 0 0
5 10 1 0 0 0 0
10 11 2 0 0 0 0
10 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
3 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
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL1CAANI0002
KNApSAcK_ID C00014471
NAME 3'-Geranylchalconaringenin;3'-Geranyl-4,2',4',6'-tetrahydroxychalcone
CAS_RN 189299-03-4
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES Oc(c1)c(C(=O)C=Cc(c2)ccc(O)c2)c(O)c(CC=C(C)CCC=C(C)C)c(O)1
M END
