Mol:FLIAAFNS0001
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 |
| − | -2.3617 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3617 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3617 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3617 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8054 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8054 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2491 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2491 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2491 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2491 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8054 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8054 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6928 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1365 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1365 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1365 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1365 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6928 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4196 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4196 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4196 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4196 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0144 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0144 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6092 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6092 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6092 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6092 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0144 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0144 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9178 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9178 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6928 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8054 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8054 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2034 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2034 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9178 -0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9178 -0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4752 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4752 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3413 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3413 -1.6763 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 1.8461 -0.8826 | + | M SVB 2 24 1.8461 -0.8826 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 2.2034 0.3535 | + | M SVB 1 22 2.2034 0.3535 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAFNS0001 | + | ID FLIAAFNS0001 |
| − | KNApSAcK_ID C00009816 | + | KNApSAcK_ID C00009816 |
| − | NAME Pratensein 3'-O-methyl ether;5,7-Dihydroxy-3',4'-dimethoxyisoflavone | + | NAME Pratensein 3'-O-methyl ether;5,7-Dihydroxy-3',4'-dimethoxyisoflavone |
| − | CAS_RN 53084-11-0 | + | CAS_RN 53084-11-0 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c3)c(OC)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c1 | + | SMILES COc(c3)c(OC)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(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
-2.3617 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3617 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9178 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2034 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9178 -0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4752 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3413 -1.6763 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
1 17 1 0 0 0 0
7 18 2 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 1.8461 -0.8826
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 2.2034 0.3535
S SKP 8
ID FLIAAFNS0001
KNApSAcK_ID C00009816
NAME Pratensein 3'-O-methyl ether;5,7-Dihydroxy-3',4'-dimethoxyisoflavone
CAS_RN 53084-11-0
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)c(OC)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c1
M END
