Mol:FLIA3ANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1831 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 -0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 -0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 0.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 0.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 0.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 0.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -1.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -1.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -0.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 1.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 1.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6538 -1.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6538 -1.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5199 -1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5199 -1.9974 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 8 12 1 0 0 0 0 | + | 8 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 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 |
| − | 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 2.0247 -1.2036 | + | M SVB 1 22 2.0247 -1.2036 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA3ANS0001 | + | ID FLIA3ANS0001 |
| − | KNApSAcK_ID C00009393 | + | KNApSAcK_ID C00009393 |
| − | NAME Retusin(Dalbergia);7,8-Dihydroxy-4'-methoxyisoflavone | + | NAME Retusin(Dalbergia);7,8-Dihydroxy-4'-methoxyisoflavone |
| − | CAS_RN 37816-19-6 | + | CAS_RN 37816-19-6 |
| − | FORMULA C16H12O5 | + | FORMULA C16H12O5 |
| − | EXACTMASS 284.068473494 | + | EXACTMASS 284.068473494 |
| − | AVERAGEMASS 284.26348 | + | AVERAGEMASS 284.26348 |
| − | SMILES COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)c(O)c(O)c1 | + | SMILES COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)c(O)c(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1831 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 0.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -1.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 -1.9974 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
1 11 1 0 0 0 0
8 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 17 2 0 0 0 0
17 12 1 0 0 0 0
7 18 2 0 0 0 0
6 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
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 2.0247 -1.2036
S SKP 8
ID FLIA3ANS0001
KNApSAcK_ID C00009393
NAME Retusin(Dalbergia);7,8-Dihydroxy-4'-methoxyisoflavone
CAS_RN 37816-19-6
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)c(O)c(O)c1
M END
