Mol:BMMCQN--s008
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
9 1 1 0 0 0 0
9 8 1 0 0 0 0
8 7 2 0 0 0 0
7 6 1 0 0 0 0
6 5 2 0 0 0 0
10 5 1 0 0 0 0
1 22 2 0 0 0 0
4 23 2 0 0 0 0
2 21 1 0 0 0 0
3 11 1 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 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 20 1 0 0 0 0
17 18 1 0 0 0 0
13 19 1 0 0 0 0
S SKP 7
ID BMMCQN--s008
NAME Menaquinone
FORMULA C21H24O2
EXACTMASS 308.1776
AVERAGEMASS 308.414
SMILES CC(CCC=C(C)C)=CCc(c2C)c(c(c1)c(c2=O)ccc1)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00828
M END
</pre>
