Mol:FL1DA9NC0014
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -2.4750 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 |
| − | 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 |
| − | 5 16 1 0 0 0 0 | + | 5 16 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 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 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 7 28 2 0 0 0 0 | + | 7 28 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NC0014 | + | ID FL1DA9NC0014 |
| − | KNApSAcK_ID C00014641 | + | KNApSAcK_ID C00014641 |
| − | NAME 2',6'-Dihydroxy-4'-methoxy-3'-(2-hydroxybenzyl)dihydrochalcone | + | NAME 2',6'-Dihydroxy-4'-methoxy-3'-(2-hydroxybenzyl)dihydrochalcone |
| − | CAS_RN 61463-10-3 | + | CAS_RN 61463-10-3 |
| − | FORMULA C23H22O5 | + | FORMULA C23H22O5 |
| − | EXACTMASS 378.146723814 | + | EXACTMASS 378.146723814 |
| − | AVERAGEMASS 378.41778000000005 | + | AVERAGEMASS 378.41778000000005 |
| − | SMILES C(=O)(CCc(c3)cccc3)c(c2O)c(O)c(c(c2)OC)Cc(c1)c(ccc1)O | + | SMILES C(=O)(CCc(c3)cccc3)c(c2O)c(O)c(c(c2)OC)Cc(c1)c(ccc1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -2.4750 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
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
5 16 1 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 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
25 26 2 0 0 0 0
26 21 1 0 0 0 0
22 27 1 0 0 0 0
7 28 2 0 0 0 0
S SKP 8
ID FL1DA9NC0014
KNApSAcK_ID C00014641
NAME 2',6'-Dihydroxy-4'-methoxy-3'-(2-hydroxybenzyl)dihydrochalcone
CAS_RN 61463-10-3
FORMULA C23H22O5
EXACTMASS 378.146723814
AVERAGEMASS 378.41778000000005
SMILES C(=O)(CCc(c3)cccc3)c(c2O)c(O)c(c(c2)OC)Cc(c1)c(ccc1)O
M END
