Mol:FLIBALNI0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6288 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6288 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6288 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6288 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0725 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0725 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5162 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5162 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5162 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5162 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0725 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0725 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0401 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0401 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5964 0.4790 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5964 0.4790 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5964 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5964 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0401 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0401 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1525 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1525 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1525 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1525 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7473 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7473 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3421 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3421 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3421 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3421 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7473 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7473 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0401 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0401 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1849 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1849 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0725 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0725 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1849 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1849 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1849 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1849 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7398 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7398 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7398 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7398 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2935 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2935 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7473 1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7473 1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2081 -1.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2081 -1.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0742 -1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0742 -1.5289 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 2.579 -0.7351 | + | M SVB 1 28 2.579 -0.7351 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNI0007 | + | ID FLIBALNI0007 |
| − | KNApSAcK_ID C00009958 | + | KNApSAcK_ID C00009958 |
| − | NAME Diphysolidone;5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavanone | + | NAME Diphysolidone;5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavanone |
| − | CAS_RN 88899-19-8 | + | CAS_RN 88899-19-8 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(cc(OC)c3)O)C2)=O)C=C(C)C | + | SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(cc(OC)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.6288 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0725 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5162 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5162 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0725 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5964 0.4790 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5964 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1525 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1525 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1849 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0725 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1849 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1849 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7398 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7398 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2935 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2081 -1.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0742 -1.5289 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 1 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
3 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
16 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 2.579 -0.7351
S SKP 8
ID FLIBALNI0007
KNApSAcK_ID C00009958
NAME Diphysolidone;5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavanone
CAS_RN 88899-19-8
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(cc(OC)c3)O)C2)=O)C=C(C)C
M END
