Mol:FL1CUNNS0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 20 0 0 0 0 0 0 0 0999 V2000
-2.0948 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0948 0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3667 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9166 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3667 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1304 1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1304 -0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1521 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2301 1.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2301 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9946 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3769 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0383 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3769 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0539 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3925 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0539 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3925 1.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6780 1.3051 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 1 0 0 0 0
4 5 1 0 0 0 0
5 1 1 0 0 0 0
5 6 2 0 0 0 0
3 7 2 0 0 0 0
4 8 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 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 12 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 ^OCH3
M SBV 1 19 -5.9358 4.7907
S SKP 8
ID FL1CUNNS0003
KNApSAcK_ID C00007169
NAME Lucidone
CAS_RN 19956-53-7
FORMULA C15H12O4
EXACTMASS 256.073558872
AVERAGEMASS 256.25338
SMILES COC(=C1)C(=O)C(=C(O)C=Cc(c2)cccc2)C(=O)1
M END
</pre>
