Mol:FL1C1ANS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 21 0 0 0 0 0 0 0 0999 V2000 | + | 20 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3315 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3315 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3315 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3315 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7752 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7752 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2189 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2189 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2189 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2189 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7752 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7752 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6626 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6626 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4498 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4498 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0059 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0059 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5669 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5669 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1279 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1279 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1279 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1279 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5669 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5669 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0059 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0059 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6626 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6626 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6887 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6887 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7752 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7752 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6887 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6887 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1887 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1887 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -2.6887 1.1122 | + | M SVB 1 20 -2.6887 1.1122 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANS0004 | + | ID FL1C1ANS0004 |
| − | KNApSAcK_ID C00006928 | + | KNApSAcK_ID C00006928 |
| − | NAME Isoliquiritigenin 4'-methyl ether | + | NAME Isoliquiritigenin 4'-methyl ether |
| − | CAS_RN 63529-06-6 | + | CAS_RN 63529-06-6 |
| − | FORMULA C16H14O4 | + | FORMULA C16H14O4 |
| − | EXACTMASS 270.089208936 | + | EXACTMASS 270.089208936 |
| − | AVERAGEMASS 270.27996 | + | AVERAGEMASS 270.27996 |
| − | SMILES COc(c2)cc(O)c(c2)C(=O)C=Cc(c1)ccc(O)c1 | + | SMILES COc(c2)cc(O)c(c2)C(=O)C=Cc(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 0 0 0 0 0 0999 V2000
-2.3315 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3315 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4498 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6887 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6887 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1887 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 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
7 16 2 0 0 0 0
13 17 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.6887 1.1122
S SKP 8
ID FL1C1ANS0004
KNApSAcK_ID C00006928
NAME Isoliquiritigenin 4'-methyl ether
CAS_RN 63529-06-6
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c2)cc(O)c(c2)C(=O)C=Cc(c1)ccc(O)c1
M END
