Mol:FL2FECNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7458 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7458 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2249 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2249 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7040 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7040 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7040 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7040 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2249 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2249 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7458 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7458 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1832 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1832 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3377 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3377 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3377 -0.2079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3377 -0.2079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.1832 0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1832 0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8581 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8581 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1832 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1832 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3925 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3925 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9268 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9268 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9268 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9268 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3925 1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3925 1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8581 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8581 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2249 -1.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2249 -1.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2662 0.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2662 0.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3925 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3925 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4603 1.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4603 1.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4603 -0.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4603 -0.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4482 -0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4482 -0.5423 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.4603 -0.6973 | + | M SVB 1 24 -2.4603 -0.6973 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FECNS0005 | + | ID FL2FECNS0005 |
| − | KNApSAcK_ID C00008415 | + | KNApSAcK_ID C00008415 |
| − | NAME 6-Methoxyeriodictyol | + | NAME 6-Methoxyeriodictyol |
| − | CAS_RN 96681-58-2 | + | CAS_RN 96681-58-2 |
| − | FORMULA C16H14O7 | + | FORMULA C16H14O7 |
| − | EXACTMASS 318.073952802 | + | EXACTMASS 318.073952802 |
| − | AVERAGEMASS 318.27816 | + | AVERAGEMASS 318.27816 |
| − | SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)cc(O)c(O)c1 | + | SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)cc(O)c(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.7458 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2249 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7040 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7040 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2249 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7458 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1832 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3377 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3377 -0.2079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1832 0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8581 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1832 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3925 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9268 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9268 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3925 1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8581 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2249 -1.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2662 0.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3925 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4603 1.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4603 -0.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4482 -0.5423 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
6 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.4603 -0.6973
S SKP 8
ID FL2FECNS0005
KNApSAcK_ID C00008415
NAME 6-Methoxyeriodictyol
CAS_RN 96681-58-2
FORMULA C16H14O7
EXACTMASS 318.073952802
AVERAGEMASS 318.27816
SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)cc(O)c(O)c1
M END
