Mol:FL1CAANP0005
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0490 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0490 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0490 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0490 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6655 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6655 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6655 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6655 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0944 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0944 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8089 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8089 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8089 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8089 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0944 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0944 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0911 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0911 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6214 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6214 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6655 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6655 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7635 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7635 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7635 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7635 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4779 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4779 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1924 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1924 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1924 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1924 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9069 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9069 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6655 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6655 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0490 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0490 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7635 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7635 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4779 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4779 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4779 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4779 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1924 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1924 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9069 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9069 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9069 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9069 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1924 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1924 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6214 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6214 2.4750 0.0000 O 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 3 13 1 0 0 0 0 | + | 3 13 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 2 15 1 0 0 0 0 | + | 2 15 1 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 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 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 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CAANP0005 | + | ID FL1CAANP0005 |
| − | KNApSAcK_ID C00014474 | + | KNApSAcK_ID C00014474 |
| − | NAME Xanthohumol E;3'-Prenyl-6'',6''-dimethylpyrano[2'',3'':6',5']-4,2',4'-trihydroxychalcone | + | NAME Xanthohumol E;3'-Prenyl-6'',6''-dimethylpyrano[2'',3'':6',5']-4,2',4'-trihydroxychalcone |
| − | CAS_RN 274675-26-2 | + | CAS_RN 274675-26-2 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES C(=C1)C(Oc(c2C(C=Cc(c3)ccc(O)c3)=O)c1c(O)c(CC=C(C)C)c2O)(C)C | + | SMILES C(=C1)C(Oc(c2C(C=Cc(c3)ccc(O)c3)=O)c1c(O)c(CC=C(C)C)c2O)(C)C |
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 32 0 0 0 0 0 0 0 0999 V2000
-0.0490 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0944 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8089 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8089 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0944 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0911 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6214 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7635 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7635 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4779 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9069 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7635 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4779 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4779 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9069 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9069 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6214 2.4750 0.0000 O 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
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
3 13 1 0 0 0 0
1 14 1 0 0 0 0
2 15 1 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
17 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL1CAANP0005
KNApSAcK_ID C00014474
NAME Xanthohumol E;3'-Prenyl-6'',6''-dimethylpyrano[2'',3'':6',5']-4,2',4'-trihydroxychalcone
CAS_RN 274675-26-2
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES C(=C1)C(Oc(c2C(C=Cc(c3)ccc(O)c3)=O)c1c(O)c(CC=C(C)C)c2O)(C)C
M END
