Mol:FL1D1CNI0001
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 |
| − | 0.5456 1.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 1.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0104 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0104 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4751 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4751 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4751 1.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4751 1.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0104 2.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0104 2.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0219 1.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0219 1.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4863 1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4863 1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9507 1.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9507 1.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4139 1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4139 1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9507 0.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9507 0.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4139 1.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4139 1.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8975 2.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8975 2.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3810 1.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3810 1.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3810 1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3810 1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8975 1.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8975 1.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8975 0.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8975 0.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8644 2.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8644 2.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9395 2.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9395 2.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9395 1.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9395 1.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0104 0.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0104 0.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4748 0.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4748 0.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4748 -0.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4748 -0.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9380 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9380 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0116 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0116 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9380 -1.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9380 -1.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4012 -1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4012 -1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4012 -1.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4012 -1.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8644 -2.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8644 -2.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9380 -2.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9380 -2.1685 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 |
| − | 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 |
| − | 4 20 1 0 0 0 0 | + | 4 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 FL1D1CNI0001 | + | ID FL1D1CNI0001 |
| − | KNApSAcK_ID C00008018 | + | KNApSAcK_ID C00008018 |
| − | NAME 2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone | + | NAME 2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone |
| − | CAS_RN 118026-33-8 | + | CAS_RN 118026-33-8 |
| − | FORMULA C25H30O5 | + | FORMULA C25H30O5 |
| − | EXACTMASS 410.20932407 | + | EXACTMASS 410.20932407 |
| − | AVERAGEMASS 410.5027 | + | AVERAGEMASS 410.5027 |
| − | SMILES C(c(c1CCC(=O)c(c2O)ccc(c2)O)c(O)c(O)cc1)C=C(C)CCC=C(C)C | + | SMILES C(c(c1CCC(=O)c(c2O)ccc(c2)O)c(O)c(O)cc1)C=C(C)CCC=C(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 31 0 0 0 0 0 0 0 0999 V2000
0.5456 1.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0104 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4751 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4751 1.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0104 2.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0219 1.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4863 1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9507 1.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4139 1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9507 0.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4139 1.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8975 2.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3810 1.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3810 1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8975 1.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8975 0.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8644 2.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9395 2.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9395 1.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0104 0.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4748 0.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4748 -0.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9380 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0116 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9380 -1.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4012 -1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4012 -1.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8644 -2.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9380 -2.1685 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
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
4 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 FL1D1CNI0001
KNApSAcK_ID C00008018
NAME 2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone
CAS_RN 118026-33-8
FORMULA C25H30O5
EXACTMASS 410.20932407
AVERAGEMASS 410.5027
SMILES C(c(c1CCC(=O)c(c2O)ccc(c2)O)c(O)c(O)cc1)C=C(C)CCC=C(C)C
M END
