Mol:FL1CECNS0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 28 0 0 0 0 0 0 0 0999 V2000 | + | 27 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2868 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2868 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2868 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2868 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -2.0625 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 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 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CECNS0004 | + | ID FL1CECNS0004 |
| − | KNApSAcK_ID C00014435 | + | KNApSAcK_ID C00014435 |
| − | NAME 2'-Hydroxy-3',4',6',3,4-pentamethoxychalcone | + | NAME 2'-Hydroxy-3',4',6',3,4-pentamethoxychalcone |
| − | CAS_RN 63878-51-3 | + | CAS_RN 63878-51-3 |
| − | FORMULA C20H22O7 | + | FORMULA C20H22O7 |
| − | EXACTMASS 374.136553058 | + | EXACTMASS 374.136553058 |
| − | AVERAGEMASS 374.38448000000005 | + | AVERAGEMASS 374.38448000000005 |
| − | SMILES COc(c2OC)cc(c(c2O)C(=O)C=Cc(c1)ccc(c1OC)OC)OC | + | SMILES COc(c2OC)cc(c(c2O)C(=O)C=Cc(c1)ccc(c1OC)OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 28 0 0 0 0 0 0 0 0999 V2000
-2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -2.0625 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 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 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
5 17 1 0 0 0 0
6 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
21 24 1 0 0 0 0
18 25 1 0 0 0 0
19 26 1 0 0 0 0
20 27 1 0 0 0 0
S SKP 8
ID FL1CECNS0004
KNApSAcK_ID C00014435
NAME 2'-Hydroxy-3',4',6',3,4-pentamethoxychalcone
CAS_RN 63878-51-3
FORMULA C20H22O7
EXACTMASS 374.136553058
AVERAGEMASS 374.38448000000005
SMILES COc(c2OC)cc(c(c2O)C(=O)C=Cc(c1)ccc(c1OC)OC)OC
M END
