Mol:FLNADANS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.2425 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2425 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1301 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1301 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1301 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1301 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0234 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0234 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0234 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0234 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2423 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2423 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9996 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9996 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9996 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9996 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5997 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5997 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5997 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5997 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0996 2.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0996 2.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1259 0.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1259 0.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4114 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4114 -0.0600 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 |
| − | 14 18 1 0 0 0 0 | + | 14 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 |
| − | 10 21 1 0 0 0 0 | + | 10 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 -1.1259 0.3525 | + | M SVB 2 23 -1.1259 0.3525 |
| − | 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 -1.5997 2.099 | + | M SVB 1 21 -1.5997 2.099 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNADANS0001 | + | ID FLNADANS0001 |
| − | KNApSAcK_ID C00010200 | + | KNApSAcK_ID C00010200 |
| − | NAME 4'-Hydroxy-5,7-dimethoxy-4-phenylcoumarin | + | NAME 4'-Hydroxy-5,7-dimethoxy-4-phenylcoumarin |
| − | CAS_RN 88126-44-7 | + | CAS_RN 88126-44-7 |
| − | FORMULA C17H14O5 | + | FORMULA C17H14O5 |
| − | EXACTMASS 298.084123558 | + | EXACTMASS 298.084123558 |
| − | AVERAGEMASS 298.29006 | + | AVERAGEMASS 298.29006 |
| − | SMILES COc(c3)cc(O2)c(c(OC)3)C(=CC(=O)2)c(c1)ccc(O)c1 | + | SMILES COc(c3)cc(O2)c(c(OC)3)C(=CC(=O)2)c(c1)ccc(O)c1 |
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
-1.2425 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2423 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0996 2.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1259 0.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4114 -0.0600 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 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
14 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
10 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 -1.1259 0.3525
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 -1.5997 2.099
S SKP 8
ID FLNADANS0001
KNApSAcK_ID C00010200
NAME 4'-Hydroxy-5,7-dimethoxy-4-phenylcoumarin
CAS_RN 88126-44-7
FORMULA C17H14O5
EXACTMASS 298.084123558
AVERAGEMASS 298.29006
SMILES COc(c3)cc(O2)c(c(OC)3)C(=CC(=O)2)c(c1)ccc(O)c1
M END
