Mol:FL1DRTNS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0930 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0930 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0930 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0930 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3786 -1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3786 -1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6641 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6641 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6641 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6641 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3786 0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3786 0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9041 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9041 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2057 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2057 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9041 -2.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9041 -2.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2057 -0.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2057 -0.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5103 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5103 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2248 -0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2248 -0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9393 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9393 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9393 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9393 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2248 1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2248 1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5103 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5103 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5268 1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5268 1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2248 -1.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2248 -1.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2248 1.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2248 1.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6728 2.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6728 2.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0930 0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0930 0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1528 1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1528 1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9148 0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9148 0.8086 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 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DRTNS0011 | + | ID FL1DRTNS0011 |
| − | KNApSAcK_ID C00014606 | + | KNApSAcK_ID C00014606 |
| − | NAME 2-Hydroxy-4,5,6-trimethoxydihydrochalcone | + | NAME 2-Hydroxy-4,5,6-trimethoxydihydrochalcone |
| − | CAS_RN 209861-22-3 | + | CAS_RN 209861-22-3 |
| − | FORMULA C18H20O5 | + | FORMULA C18H20O5 |
| − | EXACTMASS 316.13107375 | + | EXACTMASS 316.13107375 |
| − | AVERAGEMASS 316.3484 | + | AVERAGEMASS 316.3484 |
| − | SMILES c(c1CCC(=O)c(c2)cccc2)(O)cc(c(c1OC)OC)OC | + | SMILES c(c1CCC(=O)c(c2)cccc2)(O)cc(c(c1OC)OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-3.0930 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0930 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3786 -1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6641 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6641 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3786 0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9041 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2057 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9041 -2.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2057 -0.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5103 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2248 -0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9393 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9393 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2248 1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5103 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5268 1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2248 -1.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2248 1.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6728 2.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0930 0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1528 1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9148 0.8086 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
7 9 2 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 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 11 1 0 0 0 0
14 17 1 0 0 0 0
12 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
17 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
S SKP 8
ID FL1DRTNS0011
KNApSAcK_ID C00014606
NAME 2-Hydroxy-4,5,6-trimethoxydihydrochalcone
CAS_RN 209861-22-3
FORMULA C18H20O5
EXACTMASS 316.13107375
AVERAGEMASS 316.3484
SMILES c(c1CCC(=O)c(c2)cccc2)(O)cc(c(c1OC)OC)OC
M END
