Mol:FL1DAANI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 36 0 0 0 0 0 0 0 0999 V2000 | + | 35 36 0 0 0 0 0 0 0 0999 V2000 |
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| − | -0.6173 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6173 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1526 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1526 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3122 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3122 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.0274 0.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0274 0.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7766 0.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7766 0.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.0934 0.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0934 0.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.1698 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1698 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 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 |
| − | 20 27 1 0 0 0 0 | + | 20 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 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DAANI0002 | + | ID FL1DAANI0002 |
| − | KNApSAcK_ID C00008020 | + | KNApSAcK_ID C00008020 |
| − | NAME 3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone | + | NAME 3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone |
| − | CAS_RN 156788-64-6 | + | CAS_RN 156788-64-6 |
| − | FORMULA C30H38O5 | + | FORMULA C30H38O5 |
| − | EXACTMASS 478.271924326 | + | EXACTMASS 478.271924326 |
| − | AVERAGEMASS 478.61972000000003 | + | AVERAGEMASS 478.61972000000003 |
| − | SMILES c(c1)(c(O)c(CC=C(C)CCC=C(C)C)cc1CCC(=O)c(c2O)c(cc(O)c2)O)CC=C(C)C | + | SMILES c(c1)(c(O)c(CC=C(C)CCC=C(C)C)cc1CCC(=O)c(c2O)c(cc(O)c2)O)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 36 0 0 0 0 0 0 0 0999 V2000
-0.6173 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6173 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3122 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3122 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.1849 -1.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6493 -0.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1137 -1.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0604 0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5440 -0.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0604 -1.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0604 -1.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0274 0.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7766 0.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7766 -1.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0934 0.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 0.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3118 0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3118 1.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1514 1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7750 1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2410 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7054 -1.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6342 -1.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7054 -1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0986 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5630 -1.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0274 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5630 -1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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24 26 1 0 0 0 0
20 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
28 31 1 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
S SKP 8
ID FL1DAANI0002
KNApSAcK_ID C00008020
NAME 3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone
CAS_RN 156788-64-6
FORMULA C30H38O5
EXACTMASS 478.271924326
AVERAGEMASS 478.61972000000003
SMILES c(c1)(c(O)c(CC=C(C)CCC=C(C)C)cc1CCC(=O)c(c2O)c(cc(O)c2)O)CC=C(C)C
M END
