Mol:FLIAAJNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -2.1831 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3820 0.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3820 0.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6538 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6538 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5199 -1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5199 -1.4709 0.0000 C 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 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 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 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 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 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 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 2.0247 -0.6772 | + | M SVB 1 24 2.0247 -0.6772 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAJNS0001 | + | ID FLIAAJNS0001 |
| − | KNApSAcK_ID C00009465 | + | KNApSAcK_ID C00009465 |
| − | NAME Junipegenin A;5,7,3',5'-Tetrahydroxy-4'-methoxyisoflavone | + | NAME Junipegenin A;5,7,3',5'-Tetrahydroxy-4'-methoxyisoflavone |
| − | CAS_RN 76265-28-6 | + | CAS_RN 76265-28-6 |
| − | FORMULA C16H12O7 | + | FORMULA C16H12O7 |
| − | EXACTMASS 316.058302738 | + | EXACTMASS 316.058302738 |
| − | AVERAGEMASS 316.26228000000003 | + | AVERAGEMASS 316.26228000000003 |
| − | SMILES COc(c(O)3)c(O)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c1 | + | SMILES COc(c(O)3)c(O)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(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/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.1831 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3820 0.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 -1.4709 0.0000 C 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 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 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 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
13 20 1 0 0 0 0
15 21 1 0 0 0 0
14 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 2.0247 -0.6772
S SKP 8
ID FLIAAJNS0001
KNApSAcK_ID C00009465
NAME Junipegenin A;5,7,3',5'-Tetrahydroxy-4'-methoxyisoflavone
CAS_RN 76265-28-6
FORMULA C16H12O7
EXACTMASS 316.058302738
AVERAGEMASS 316.26228000000003
SMILES COc(c(O)3)c(O)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c1
M END
