Mol:FL1DBANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 27 0 0 0 0 0 0 0 0999 V2000 | + | 26 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4367 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4367 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4367 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4367 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7223 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7223 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0078 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0078 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0078 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0078 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7223 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7223 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2933 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2933 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4212 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4212 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4212 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4212 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1356 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1356 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8501 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8501 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5646 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5646 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5646 0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5646 0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8501 1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8501 1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1356 0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1356 0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2933 -2.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2933 -2.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1512 0.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1512 0.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2933 0.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2933 0.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2790 1.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2790 1.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7223 -2.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7223 -2.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4188 -2.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4188 -2.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7223 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7223 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4986 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4986 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4986 2.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4986 2.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8269 2.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8269 2.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2790 2.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2790 2.6465 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 |
| − | 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 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DBANI0001 | + | ID FL1DBANI0001 |
| − | KNApSAcK_ID C00014615 | + | KNApSAcK_ID C00014615 |
| − | NAME alpha,beta-Dihydroxanthohumol;4,2',4'-Trihydroxy-6'-methoxy-3'-prenyldihydrochalcone | + | NAME alpha,beta-Dihydroxanthohumol;4,2',4'-Trihydroxy-6'-methoxy-3'-prenyldihydrochalcone |
| − | CAS_RN 102448-00-0 | + | CAS_RN 102448-00-0 |
| − | FORMULA C21H24O5 | + | FORMULA C21H24O5 |
| − | EXACTMASS 356.162373878 | + | EXACTMASS 356.162373878 |
| − | AVERAGEMASS 356.41226 | + | AVERAGEMASS 356.41226 |
| − | SMILES COc(c2)c(c(c(CC=C(C)C)c(O)2)O)C(=O)CCc(c1)ccc(O)c1 | + | SMILES COc(c2)c(c(c(CC=C(C)C)c(O)2)O)C(=O)CCc(c1)ccc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 0 0 0 0 0 0999 V2000
-2.4367 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4367 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7223 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0078 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0078 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7223 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2933 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4212 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4212 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1356 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8501 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5646 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5646 0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8501 1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1356 0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2933 -2.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1512 0.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2933 0.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2790 1.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7223 -2.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4188 -2.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7223 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4986 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4986 2.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8269 2.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2790 2.6465 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
5 18 1 0 0 0 0
13 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL1DBANI0001
KNApSAcK_ID C00014615
NAME alpha,beta-Dihydroxanthohumol;4,2',4'-Trihydroxy-6'-methoxy-3'-prenyldihydrochalcone
CAS_RN 102448-00-0
FORMULA C21H24O5
EXACTMASS 356.162373878
AVERAGEMASS 356.41226
SMILES COc(c2)c(c(c(CC=C(C)C)c(O)2)O)C(=O)CCc(c1)ccc(O)c1
M END
