Mol:FL1CALNS0004
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 28 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8579 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2868 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2868 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2868 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2868 0.6188 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 14 27 1 0 0 0 0 | + | 14 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CALNS0004 | + | ID FL1CALNS0004 |
| − | KNApSAcK_ID C00014436 | + | KNApSAcK_ID C00014436 |
| − | NAME 2,3,4,2',4',6'-Hexamethoxychalcone | + | NAME 2,3,4,2',4',6'-Hexamethoxychalcone |
| − | CAS_RN 639087-94-8 | + | CAS_RN 639087-94-8 |
| − | FORMULA C21H24O7 | + | FORMULA C21H24O7 |
| − | EXACTMASS 388.152203122 | + | EXACTMASS 388.152203122 |
| − | AVERAGEMASS 388.41106 | + | AVERAGEMASS 388.41106 |
| − | SMILES COc(c1)c(C(C=Cc(c(OC)2)ccc(OC)c2OC)=O)c(cc1OC)OC | + | SMILES COc(c1)c(C(C=Cc(c(OC)2)ccc(OC)c2OC)=O)c(cc1OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 29 0 0 0 0 0 0 0 0999 V2000
-2.8579 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.6188 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
18 20 1 0 0 0 0
19 21 1 0 0 0 0
17 22 1 0 0 0 0
12 23 1 0 0 0 0
23 24 1 0 0 0 0
13 25 1 0 0 0 0
25 26 1 0 0 0 0
14 27 1 0 0 0 0
27 28 1 0 0 0 0
S SKP 8
ID FL1CALNS0004
KNApSAcK_ID C00014436
NAME 2,3,4,2',4',6'-Hexamethoxychalcone
CAS_RN 639087-94-8
FORMULA C21H24O7
EXACTMASS 388.152203122
AVERAGEMASS 388.41106
SMILES COc(c1)c(C(C=Cc(c(OC)2)ccc(OC)c2OC)=O)c(cc1OC)OC
M END
