Mol:FLNAA9NP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.2646 0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2646 0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2917 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2917 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8478 0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8478 0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8478 0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8478 0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4246 -0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4246 -0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0013 0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0013 0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0013 0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0013 0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4246 1.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4246 1.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2643 0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2643 0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2917 -0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2917 -0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4246 -0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4246 -0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8717 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8717 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8717 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8717 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4246 -2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4246 -2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9775 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9775 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9775 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9775 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5777 1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5777 1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2917 -0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2917 -0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2917 1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2917 1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2646 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2646 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8209 1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8209 1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8209 1.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8209 1.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4247 1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4247 1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8209 2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8209 2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8192 -0.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8192 -0.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8191 -0.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8191 -0.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3742 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3742 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9763 -0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9763 -0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5777 0.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5777 0.0470 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 11 1 0 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 |
| − | 10 18 1 0 0 0 0 | + | 10 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 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 |
| − | 9 25 1 0 0 0 0 | + | 9 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAA9NP0001 | + | ID FLNAA9NP0001 |
| − | KNApSAcK_ID C00010210 | + | KNApSAcK_ID C00010210 |
| − | NAME 6-Butyryl-5-hydroxy-4-phenylseselin | + | NAME 6-Butyryl-5-hydroxy-4-phenylseselin |
| − | CAS_RN 80752-02-9 | + | CAS_RN 80752-02-9 |
| − | FORMULA C24H22O5 | + | FORMULA C24H22O5 |
| − | EXACTMASS 390.146723814 | + | EXACTMASS 390.146723814 |
| − | AVERAGEMASS 390.42848000000004 | + | AVERAGEMASS 390.42848000000004 |
| − | SMILES C(=O)(C=3)Oc(c21)c(C(c(c4)cccc4)3)c(c(c1OC(C=C2)(C)C)C(=O)CCC)O | + | SMILES C(=O)(C=3)Oc(c21)c(C(c(c4)cccc4)3)c(c(c1OC(C=C2)(C)C)C(=O)CCC)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/
29 32 0 0 0 0 0 0 0 0999 V2000
-0.2646 0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8478 0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8478 0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4246 -0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0013 0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0013 0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4246 1.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2643 0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 -0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4246 -0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8717 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8717 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4246 -2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9775 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9775 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5777 1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 -0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2646 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8209 1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8209 1.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4247 1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8209 2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8192 -0.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8191 -0.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3742 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9763 -0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5777 0.0470 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 1 0 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
10 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
9 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
S SKP 8
ID FLNAA9NP0001
KNApSAcK_ID C00010210
NAME 6-Butyryl-5-hydroxy-4-phenylseselin
CAS_RN 80752-02-9
FORMULA C24H22O5
EXACTMASS 390.146723814
AVERAGEMASS 390.42848000000004
SMILES C(=O)(C=3)Oc(c21)c(C(c(c4)cccc4)3)c(c(c1OC(C=C2)(C)C)C(=O)CCC)O
M END
