Mol:FL3F99NS0006
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.6004 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6004 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6004 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6004 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4878 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4878 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4878 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4878 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 -0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 -0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6248 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6248 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6248 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6248 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 -1.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 -1.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1809 0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1809 0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1809 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1809 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3149 -0.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3149 -0.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3068 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3068 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -1.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -1.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -2.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -2.8696 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 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 -1.5594 -0.9846 | + | M SVB 2 22 -1.5594 -0.9846 |
| − | 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 -2.3149 -0.4569 | + | M SVB 1 20 -2.3149 -0.4569 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F99NS0006 | + | ID FL3F99NS0006 |
| − | KNApSAcK_ID C00003793 | + | KNApSAcK_ID C00003793 |
| − | NAME 5,6-Dimethoxyflavone | + | NAME 5,6-Dimethoxyflavone |
| − | CAS_RN 33554-48-2 | + | CAS_RN 33554-48-2 |
| − | FORMULA C17H14O4 | + | FORMULA C17H14O4 |
| − | EXACTMASS 282.089208936 | + | EXACTMASS 282.089208936 |
| − | AVERAGEMASS 282.29066 | + | AVERAGEMASS 282.29066 |
| − | SMILES COc(c3)c(OC)c(C(=O)2)c(c3)OC(=C2)c(c1)cccc1 | + | SMILES COc(c3)c(OC)c(C(=O)2)c(c3)OC(=C2)c(c1)cccc1 |
M END | M END | ||
| − | |||
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
-1.6004 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -1.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 -0.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3068 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -1.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -2.8696 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
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
2 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 -1.5594 -0.9846
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 -2.3149 -0.4569
S SKP 8
ID FL3F99NS0006
KNApSAcK_ID C00003793
NAME 5,6-Dimethoxyflavone
CAS_RN 33554-48-2
FORMULA C17H14O4
EXACTMASS 282.089208936
AVERAGEMASS 282.29066
SMILES COc(c3)c(OC)c(C(=O)2)c(c3)OC(=C2)c(c1)cccc1
M END
