Mol:FLIIACNM0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.0044 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0044 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3338 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3338 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5607 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5607 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9353 0.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9353 0.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4937 0.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4937 0.1939 0.0000 O 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 1 0 0 0 0 | + | 7 16 1 0 0 0 0 |
| − | 17 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 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 3 21 22 23 | + | M SAL 1 3 21 22 23 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 23 -6.5171 4.9200 | + | M SBV 1 23 -6.5171 4.9200 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIIACNM0001 | + | ID FLIIACNM0001 |
| − | KNApSAcK_ID C00010052 | + | KNApSAcK_ID C00010052 |
| − | NAME Norwedelic acid;5,6-Dihydroxy-2-(2',4',6'-trihydroxyphenyl)benzofuran-3-carboxylic acid | + | NAME Norwedelic acid;5,6-Dihydroxy-2-(2',4',6'-trihydroxyphenyl)benzofuran-3-carboxylic acid |
| − | CAS_RN 100288-12-8 | + | CAS_RN 100288-12-8 |
| − | FORMULA C15H10O8 | + | FORMULA C15H10O8 |
| − | EXACTMASS 318.037567296 | + | EXACTMASS 318.037567296 |
| − | AVERAGEMASS 318.2351 | + | AVERAGEMASS 318.2351 |
| − | SMILES Oc(c3)cc(O)c(c(O)3)c(o1)c(C(O)=O)c(c2)c(cc(O)c(O)2)1 | + | SMILES Oc(c3)cc(O)c(c(O)3)c(o1)c(C(O)=O)c(c2)c(cc(O)c(O)2)1 |
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
-2.0044 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3338 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9353 0.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4937 0.1939 0.0000 O 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 2 0 0 0 0
9 5 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 1 0 0 0 0
17 1 1 0 0 0 0
11 16 1 0 0 0 0
13 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
8 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 21 22 23
M SBL 1 1 23
M SMT 1 COOH
M SBV 1 23 -6.5171 4.9200
S SKP 8
ID FLIIACNM0001
KNApSAcK_ID C00010052
NAME Norwedelic acid;5,6-Dihydroxy-2-(2',4',6'-trihydroxyphenyl)benzofuran-3-carboxylic acid
CAS_RN 100288-12-8
FORMULA C15H10O8
EXACTMASS 318.037567296
AVERAGEMASS 318.2351
SMILES Oc(c3)cc(O)c(c(O)3)c(o1)c(C(O)=O)c(c2)c(cc(O)c(O)2)1
M END
