Mol:BMMCBZ4So011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 15 0 0 0 0 0 0 0 0999 V2000
4.5981 0.0000 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
3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 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 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6 5 2 0 0 0 0
1 7 1 0 0 0 0
5 4 1 0 0 0 0
7 8 2 0 0 0 0
4 3 2 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 2 0 0 0 0
3 11 1 0 0 0 0
1 6 1 0 0 0 0
5 14 1 0 0 0 0
11 12 1 0 0 0 0
4 13 1 0 0 0 0
14 15 1 0 0 0 0
S SKP 7
ID BMMCBZ4So011
NAME Sinapoyl aldehyde
FORMULA C11H12O4
EXACTMASS 208.0735
AVERAGEMASS 208.2105
SMILES O=CC=Cc(c1)cc(OC)c(O)c(OC)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05610
M END
