Mol:BMMCVA--0004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 21 0 0 0 0 0 0 0 0999 V2000
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 7 1 0 0 0 0
4 5 1 0 0 0 0
7 8 2 0 0 0 0
4 3 1 0 0 0 0
8 9 1 0 0 0 0
3 2 1 0 0 0 0
9 10 2 0 0 0 0
2 1 1 0 0 0 0
10 11 1 0 0 0 0
1 6 1 0 0 0 0
11 12 2 0 0 0 0
6 5 2 0 0 0 0
12 13 1 0 0 0 0
5 18 1 0 0 0 0
13 14 2 0 0 0 0
9 19 1 0 0 0 0
1 16 1 0 0 0 0
13 20 1 0 0 0 0
1 17 1 0 0 0 0
14 15 1 0 0 0 0
15 21 1 0 0 0 0
S SKP 7
ID BMMCVA--0004
NAME Retinol
FORMULA C20H30O
EXACTMASS 286.2296
AVERAGEMASS 286.4516
SMILES CC(=CC=CC(=CCO)C)C=CC(C1(C)C)=C(C)CCC1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00473
M END
</pre>
