Mol:FL4DAANI0003
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 |
| − | -1.8429 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8429 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8011 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8011 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8011 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8011 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8429 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8429 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2802 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2407 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2407 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2407 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2407 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2802 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7610 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2802 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2954 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8298 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8298 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8298 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8298 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2954 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7610 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3632 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3632 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7610 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3632 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3632 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8424 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8424 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8424 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8424 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3627 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3627 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAANI0003 | + | ID FL4DAANI0003 |
| − | KNApSAcK_ID C00008616 | + | KNApSAcK_ID C00008616 |
| − | NAME 3,5,7,4'-Tetrahydroxy-8-prenylflavanone | + | NAME 3,5,7,4'-Tetrahydroxy-8-prenylflavanone |
| − | CAS_RN 52589-20-5 | + | CAS_RN 52589-20-5 |
| − | FORMULA C20H20O6 | + | FORMULA C20H20O6 |
| − | EXACTMASS 356.125988372 | + | EXACTMASS 356.125988372 |
| − | AVERAGEMASS 356.3692 | + | AVERAGEMASS 356.3692 |
| − | SMILES c(c3)c(ccc(O)3)C(O1)C(C(c(c2O)c1c(CC=C(C)C)c(O)c2)=O)O | + | SMILES c(c3)c(ccc(O)3)C(O1)C(C(c(c2O)c1c(CC=C(C)C)c(O)c2)=O)O |
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
-1.8429 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8429 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3632 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8424 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8424 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3627 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL4DAANI0003
KNApSAcK_ID C00008616
NAME 3,5,7,4'-Tetrahydroxy-8-prenylflavanone
CAS_RN 52589-20-5
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES c(c3)c(ccc(O)3)C(O1)C(C(c(c2O)c1c(CC=C(C)C)c(O)c2)=O)O
M END
