Mol:FL2FA9NR0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-0.6975 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3442 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3442 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6975 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8651 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3860 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3860 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8651 0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9064 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8651 -0.7744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4407 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9751 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9751 1.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4407 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9064 1.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 -0.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5385 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0175 -0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4964 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4964 -0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0175 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5385 -0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9751 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0246 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5851 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0246 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2179 0.9521 0.0000 O 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 0 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
2 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
21 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
6 29 1 0 0 0 0
S SKP 8
ID FL2FA9NR0001
KNApSAcK_ID C00008403
NAME Linderatone
CAS_RN 98155-84-1
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES Oc(c3)c(C(C4C(C)C)C=C(C)CC4)c(O)c(c31)C(=O)CC(c(c2)cccc2)O1
M END
</pre>
