Mol:FLIAACNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4645 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4645 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4645 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4645 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9082 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9082 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3519 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3519 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3519 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3519 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9082 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9082 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2044 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2044 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7607 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7607 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7607 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7607 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2044 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2044 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3168 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3168 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3168 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3168 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9116 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9116 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5064 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5064 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5064 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5064 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9116 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9116 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2044 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2044 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0206 1.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0206 1.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0207 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0207 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0207 -0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0207 -0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 -1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 -1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1006 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1006 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1006 -0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1006 -0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9082 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9082 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1006 0.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1006 0.5632 0.0000 O 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAACNI0003 | + | ID FLIAACNI0003 |
| − | KNApSAcK_ID C00009890 | + | KNApSAcK_ID C00009890 |
| − | NAME 5,7,3',4'-Tetrahydroxy-6-prenylisoflavone | + | NAME 5,7,3',4'-Tetrahydroxy-6-prenylisoflavone |
| − | CAS_RN 66777-71-7 | + | CAS_RN 66777-71-7 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)cc(c(O)c3)O)=C2)=O)C=C(C)C | + | SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)cc(c(O)c3)O)=C2)=O)C=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.4645 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4645 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9082 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3519 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3519 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9082 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2044 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7607 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7607 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2044 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3168 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3168 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9116 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5064 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5064 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9116 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2044 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0206 1.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 -0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1006 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1006 -0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9082 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1006 0.5632 0.0000 O 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
1 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
3 25 1 0 0 0 0
15 26 1 0 0 0 0
S SKP 8
ID FLIAACNI0003
KNApSAcK_ID C00009890
NAME 5,7,3',4'-Tetrahydroxy-6-prenylisoflavone
CAS_RN 66777-71-7
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)cc(c(O)c3)O)=C2)=O)C=C(C)C
M END
