Mol:FL63RNNS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-2.0595 0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0595 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5032 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9469 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9469 0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5032 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3906 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1657 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1657 0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3906 0.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5032 -0.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6158 0.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4980 -0.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0825 0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0825 -0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5937 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1050 -0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1050 0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5937 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6158 -0.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5818 -0.2404 0.0000 O 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
4 7 1 0 0 0 0
7 8 1 1 0 0 0
9 8 1 1 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
3 11 1 0 0 0 0
12 1 1 0 0 0 0
7 13 1 0 0 0 0
9 14 1 0 0 0 0
14 15 2 0 0 0 0
15 13 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
8 21 1 0 0 0 0
S SKP 8
ID FL63RNNS0001
KNApSAcK_ID C00008990
NAME Cyanomaclurin
CAS_RN 10020-68-5
FORMULA C15H12O6
EXACTMASS 288.063388116
AVERAGEMASS 288.25218
SMILES Oc(c4)cc(O1)c(c4)C(O2)C(O)C1c(c(O)3)c(cc(O)c3)2
M END
</pre>
