Mol:FL1CQUNM0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
1.3977 0.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3977 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9540 -0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5103 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5103 0.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9540 0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2645 -0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8208 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2916 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8525 -0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2916 -1.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8525 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4052 0.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9578 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9578 -0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4052 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4052 -1.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5103 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2999 0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9942 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8491 1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 12 1 0 0 0 0
12 13 1 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 10 2 0 0 0 0
16 17 1 0 0 0 0
15 18 1 0 0 0 0
12 19 2 0 0 0 0
13 20 1 0 0 0 0
13 21 1 0 0 0 0
S SKP 8
ID FL1CQUNM0001
KNApSAcK_ID C00007171
NAME Ohobanin
CAS_RN 128502-81-8
FORMULA C18H18O3
EXACTMASS 282.12559444199997
AVERAGEMASS 282.33371999999997
SMILES C(=C1C(=O)C=Cc(c2)cccc2)(O)C(C)=CC(C1=O)(C)C
M END
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