Mol:FLNAA9NP0001
From Metabolomics.JP
<pre>
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
</pre>
