Mol:FL1DEANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 32 0 0 0 0 0 0 0 0999 V2000 | + | 31 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.6913 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6913 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6913 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6913 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1560 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1560 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6208 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6208 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6208 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6208 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1560 0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1560 0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1237 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1237 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6593 -0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6593 -0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1949 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1949 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7317 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7317 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1949 -1.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1949 -1.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7317 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7317 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2482 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2482 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2354 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2354 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2354 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2354 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2482 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2482 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2482 -1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2482 -1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7188 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7188 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0852 0.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0852 0.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2152 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2152 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7188 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7188 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2011 -0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2011 -0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6834 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6834 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1644 -0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1644 -0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6455 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6455 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1254 -0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1254 -0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6834 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6834 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6053 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6053 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0852 -0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0852 -0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6053 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6053 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2482 1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2482 1.1166 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 |
| − | 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 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 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 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 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 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 26 28 2 0 0 0 0 | + | 26 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 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DEANI0001 | + | ID FL1DEANI0001 |
| − | KNApSAcK_ID C00008022 | + | KNApSAcK_ID C00008022 |
| − | NAME 3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone | + | NAME 3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone |
| − | CAS_RN 76015-50-4 | + | CAS_RN 76015-50-4 |
| − | FORMULA C25H30O6 | + | FORMULA C25H30O6 |
| − | EXACTMASS 426.204238692 | + | EXACTMASS 426.204238692 |
| − | AVERAGEMASS 426.5021 | + | AVERAGEMASS 426.5021 |
| − | SMILES CC(C)=CCCC(=CCc(c(O)1)c(c(C(=O)CCc(c2)ccc(O)c2)c(O)c1O)O)C | + | SMILES CC(C)=CCCC(=CCc(c(O)1)c(c(C(=O)CCc(c2)ccc(O)c2)c(O)c1O)O)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/
31 32 0 0 0 0 0 0 0 0999 V2000
2.6913 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6913 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1560 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6208 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6208 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1560 0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1237 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6593 -0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1949 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7317 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1949 -1.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7317 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2482 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2354 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2354 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2482 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2482 -1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7188 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0852 0.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2152 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7188 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2011 -0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6834 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1644 -0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6455 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1254 -0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6834 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6053 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0852 -0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6053 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2482 1.1166 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
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 7 1 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 0 0 0 0
5 19 1 0 0 0 0
12 20 1 0 0 0 0
15 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
24 25 1 0 0 0 0
25 26 1 0 0 0 0
23 27 1 0 0 0 0
26 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
13 31 1 0 0 0 0
S SKP 8
ID FL1DEANI0001
KNApSAcK_ID C00008022
NAME 3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone
CAS_RN 76015-50-4
FORMULA C25H30O6
EXACTMASS 426.204238692
AVERAGEMASS 426.5021
SMILES CC(C)=CCCC(=CCc(c(O)1)c(c(C(=O)CCc(c2)ccc(O)c2)c(O)c1O)O)C
M END
