Mol:FL2FALNI0032
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4974 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4974 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4788 -1.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4788 -1.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7017 -2.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7017 -2.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0468 -1.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0468 -1.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0327 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0327 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7583 -0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7583 -0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2919 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2919 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3819 -1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3819 -1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3727 -0.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3727 -0.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3112 -0.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3112 -0.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0872 -0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0872 -0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7782 -0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7782 -0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4896 -0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4896 -0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5101 0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5101 0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7983 0.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7983 0.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0779 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0779 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2919 -2.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2919 -2.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2119 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2119 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7017 -2.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7017 -2.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2119 0.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2119 0.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7983 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7983 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9718 2.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9718 2.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2961 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2961 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9770 1.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9770 1.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9770 2.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9770 2.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7782 -1.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7782 -1.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.4728 0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4728 0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4728 1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4728 1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1873 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1873 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7583 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7583 1.9883 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 |
| − | 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 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 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0032 | + | ID FL2FALNI0032 |
| − | KNApSAcK_ID C00014183 | + | KNApSAcK_ID C00014183 |
| − | NAME (2S)-5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone | + | NAME (2S)-5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone |
| − | CAS_RN 460345-17-9 | + | CAS_RN 460345-17-9 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES Oc(c3C(C)(C)C=C)cc(c(c3)C(C1)Oc(c2CC=C(C)C)c(c(cc(O)2)O)C1=O)O | + | SMILES Oc(c3C(C)(C)C=C)cc(c(c3)C(C1)Oc(c2CC=C(C)C)c(c(cc(O)2)O)C1=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/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.4974 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4788 -1.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7017 -2.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0468 -1.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0327 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7583 -0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2919 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3819 -1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3727 -0.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3112 -0.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0872 -0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7782 -0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4896 -0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5101 0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7983 0.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0779 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2919 -2.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2119 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7017 -2.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2119 0.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7983 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9718 2.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2961 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9770 1.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9770 2.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7782 -1.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7583 0.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4728 0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4728 1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1873 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7583 1.9883 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
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
9 11 1 6 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
24 25 2 0 0 0 0
12 26 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FALNI0032
KNApSAcK_ID C00014183
NAME (2S)-5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
CAS_RN 460345-17-9
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES Oc(c3C(C)(C)C=C)cc(c(c3)C(C1)Oc(c2CC=C(C)C)c(c(cc(O)2)O)C1=O)O
M END
