Mol:BMMCQN--s003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
9.7942 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.0000 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 21 2 0 0 0 0
4 22 2 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--s003
NAME 2- [(2E) -3,7-Dimethylocta-2,6-dienyl] naphthalene-1,4-dione
CAS_RN 4966-05-6
FORMULA C20H22O2
EXACTMASS 294.1619
AVERAGEMASS 294.3874
SMILES CC(CCC=C(C)C)=CCc(c1)c(c(c2)c(ccc2)c1=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05818
M END
