Mol:FL3FA9NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6027 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6027 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6027 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6027 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1022 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1022 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6018 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6018 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6018 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6018 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1022 0.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1022 0.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1013 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1013 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3991 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3991 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3991 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3991 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1013 0.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1013 0.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8992 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8992 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4296 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4296 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9599 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9599 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9599 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9599 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4296 1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4296 1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8992 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8992 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1013 -1.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1013 -1.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9599 0.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9599 0.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4598 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4598 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5666 -0.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5666 -0.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8522 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8522 -1.3054 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 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 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -1.5666 -0.8929 | + | M SVB 2 22 -1.5666 -0.8929 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -1.9599 0.7371 | + | M SVB 1 20 -1.9599 0.7371 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NS0001 | + | ID FL3FA9NS0001 |
| − | KNApSAcK_ID C00001028 | + | KNApSAcK_ID C00001028 |
| − | NAME 5,7-Dimethoxyflavone;chrysin 5,7-dimethyl ether | + | NAME 5,7-Dimethoxyflavone;chrysin 5,7-dimethyl ether |
| − | CAS_RN 21392-57-4 | + | CAS_RN 21392-57-4 |
| − | FORMULA C17H14O4 | + | FORMULA C17H14O4 |
| − | EXACTMASS 282.089208936 | + | EXACTMASS 282.089208936 |
| − | AVERAGEMASS 282.29066 | + | AVERAGEMASS 282.29066 |
| − | SMILES COc(c1)cc(O2)c(C(=O)C=C2c(c3)cccc3)c(OC)1 | + | SMILES COc(c1)cc(O2)c(C(=O)C=C2c(c3)cccc3)c(OC)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.6027 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6018 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6018 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 0.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3991 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3991 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 0.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8992 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9599 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9599 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8992 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -1.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9599 0.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4598 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5666 -0.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8522 -1.3054 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 5 1 0 0 0 0
9 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -1.5666 -0.8929
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -1.9599 0.7371
S SKP 8
ID FL3FA9NS0001
KNApSAcK_ID C00001028
NAME 5,7-Dimethoxyflavone;chrysin 5,7-dimethyl ether
CAS_RN 21392-57-4
FORMULA C17H14O4
EXACTMASS 282.089208936
AVERAGEMASS 282.29066
SMILES COc(c1)cc(O2)c(C(=O)C=C2c(c3)cccc3)c(OC)1
M END
