Mol:FLIAGANS0001
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 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0044 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 -0.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 -0.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5607 -1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 -1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1700 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1700 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7334 2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7334 2.3435 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 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 -1.17 1.4439 | + | M SVB 1 24 -1.17 1.4439 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAGANS0001 | + | ID FLIAGANS0001 |
| − | KNApSAcK_ID C00009830 | + | KNApSAcK_ID C00009830 |
| − | NAME 5,6,7,4'-Tetrahydroxy-8-methoxyisoflavone | + | NAME 5,6,7,4'-Tetrahydroxy-8-methoxyisoflavone |
| − | CAS_RN 94411-01-5 | + | CAS_RN 94411-01-5 |
| − | FORMULA C16H12O7 | + | FORMULA C16H12O7 |
| − | EXACTMASS 316.058302738 | + | EXACTMASS 316.058302738 |
| − | AVERAGEMASS 316.26228000000003 | + | AVERAGEMASS 316.26228000000003 |
| − | SMILES COc(c(O)3)c(O2)c(c(O)c(O)3)C(=O)C(=C2)c(c1)ccc(O)c1 | + | SMILES COc(c(O)3)c(O2)c(c(O)c(O)3)C(=O)C(=C2)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/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.0044 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 -0.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1700 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7334 2.3435 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 2 1 0 0 0 0
14 21 1 0 0 0 0
6 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 -1.17 1.4439
S SKP 8
ID FLIAGANS0001
KNApSAcK_ID C00009830
NAME 5,6,7,4'-Tetrahydroxy-8-methoxyisoflavone
CAS_RN 94411-01-5
FORMULA C16H12O7
EXACTMASS 316.058302738
AVERAGEMASS 316.26228000000003
SMILES COc(c(O)3)c(O2)c(c(O)c(O)3)C(=O)C(=C2)c(c1)ccc(O)c1
M END
