Mol:FLIBAANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4502 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4502 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4502 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4502 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8939 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8939 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3376 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3376 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3376 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3376 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8939 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8939 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2187 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2187 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7750 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7750 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7750 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7750 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2187 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2187 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3311 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3311 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3311 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3311 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9259 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9259 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5207 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5207 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5207 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5207 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9259 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9259 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2187 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2187 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0063 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0063 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8939 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8939 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0063 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0063 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0063 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0063 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1149 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1149 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1149 -0.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1149 -0.8719 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 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 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBAANI0001 | + | ID FLIBAANI0001 |
| − | KNApSAcK_ID C00009966 | + | KNApSAcK_ID C00009966 |
| − | NAME (+)-Dihydrowighteone;(+)-5,7,4'-Trihydroxy-6-prenylisoflavanone | + | NAME (+)-Dihydrowighteone;(+)-5,7,4'-Trihydroxy-6-prenylisoflavanone |
| − | CAS_RN 108026-27-3 | + | CAS_RN 108026-27-3 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES C(c(c(O)1)c(O)cc(O3)c1C(C(C3)c(c2)ccc(O)c2)=O)C=C(C)C | + | SMILES C(c(c(O)1)c(O)cc(O3)c1C(C(C3)c(c2)ccc(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/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.4502 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4502 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8939 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3376 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3376 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8939 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7750 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7750 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9259 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5207 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5207 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9259 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8939 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1149 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1149 -0.8719 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 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
14 25 1 0 0 0 0
S SKP 8
ID FLIBAANI0001
KNApSAcK_ID C00009966
NAME (+)-Dihydrowighteone;(+)-5,7,4'-Trihydroxy-6-prenylisoflavanone
CAS_RN 108026-27-3
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES C(c(c(O)1)c(O)cc(O3)c1C(C(C3)c(c2)ccc(O)c2)=O)C=C(C)C
M END
