Mol:FL3FE9NS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6004 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6004 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6004 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6004 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4878 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4878 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4878 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4878 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6248 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6248 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6248 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6248 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1809 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1809 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1809 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1809 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1565 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1565 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3149 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3149 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3068 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3068 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -2.8468 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -1.4805 -1.0073 | + | M SVB 2 23 -1.4805 -1.0073 |
| − | 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 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -2.3149 -0.4342 | + | M SVB 1 21 -2.3149 -0.4342 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FE9NS0004 | + | ID FL3FE9NS0004 |
| − | KNApSAcK_ID C00003806 | + | KNApSAcK_ID C00003806 |
| − | NAME Baicalein 5,6-dimethyl ether;7-Hydroxy-5,6-Dimethoxyflavone | + | NAME Baicalein 5,6-dimethyl ether;7-Hydroxy-5,6-Dimethoxyflavone |
| − | CAS_RN 2035-05-4 | + | CAS_RN 2035-05-4 |
| − | FORMULA C17H14O5 | + | FORMULA C17H14O5 |
| − | EXACTMASS 298.084123558 | + | EXACTMASS 298.084123558 |
| − | AVERAGEMASS 298.29006 | + | AVERAGEMASS 298.29006 |
| − | SMILES COc(c(O)3)c(OC)c(C(=O)2)c(c3)OC(=C2)c(c1)cccc1 | + | SMILES COc(c(O)3)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/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.6004 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1565 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3068 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -2.8468 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
1 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -1.4805 -1.0073
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.3149 -0.4342
S SKP 8
ID FL3FE9NS0004
KNApSAcK_ID C00003806
NAME Baicalein 5,6-dimethyl ether;7-Hydroxy-5,6-Dimethoxyflavone
CAS_RN 2035-05-4
FORMULA C17H14O5
EXACTMASS 298.084123558
AVERAGEMASS 298.29006
SMILES COc(c(O)3)c(OC)c(C(=O)2)c(c3)OC(=C2)c(c1)cccc1
M END
