Mol:FLIACANI0001
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 1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4645 1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4645 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4645 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9082 0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9082 0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3519 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3519 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3519 1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3519 1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9082 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9082 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2044 0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2044 0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7607 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7607 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7607 1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7607 1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2044 1.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2044 1.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3168 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3168 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3168 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3168 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9116 -0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9116 -0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5064 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5064 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5064 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5064 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9116 0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9116 0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2044 -0.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2044 -0.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0207 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0207 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0207 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0207 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 -1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 -1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1006 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1006 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1006 -0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1006 -0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9082 -0.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9082 -0.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8217 1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8217 1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3217 2.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3217 2.5195 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -1.8217 1.6535 | + | M SVB 1 27 -1.8217 1.6535 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIACANI0001 | + | ID FLIACANI0001 |
| − | KNApSAcK_ID C00009888 | + | KNApSAcK_ID C00009888 |
| − | NAME Gancaonin G;5,4'-Dihydroxy-7-methoxy-6-prenylisoflavone | + | NAME Gancaonin G;5,4'-Dihydroxy-7-methoxy-6-prenylisoflavone |
| − | CAS_RN 126716-34-5 | + | CAS_RN 126716-34-5 |
| − | FORMULA C21H20O5 | + | FORMULA C21H20O5 |
| − | EXACTMASS 352.13107375 | + | EXACTMASS 352.13107375 |
| − | AVERAGEMASS 352.3805 | + | AVERAGEMASS 352.3805 |
| − | SMILES COc(c(CC=C(C)C)3)cc(c(c3O)2)OC=C(C2=O)c(c1)ccc(O)c1 | + | SMILES COc(c(CC=C(C)C)3)cc(c(c3O)2)OC=C(C2=O)c(c1)ccc(O)c1 |
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 1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4645 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9082 0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3519 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3519 1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9082 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2044 0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7607 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7607 1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2044 1.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3168 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3168 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9116 -0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5064 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5064 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9116 0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2044 -0.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1006 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1006 -0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9082 -0.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8217 1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3217 2.5195 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
2 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
14 23 1 0 0 0 0
3 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -1.8217 1.6535
S SKP 8
ID FLIACANI0001
KNApSAcK_ID C00009888
NAME Gancaonin G;5,4'-Dihydroxy-7-methoxy-6-prenylisoflavone
CAS_RN 126716-34-5
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES COc(c(CC=C(C)C)3)cc(c(c3O)2)OC=C(C2=O)c(c1)ccc(O)c1
M END
