Mol:BMMCBZ2Po025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 11 0 0 0 0 0 0 0 0999 V2000
3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 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 -2.0000 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
4.5981 -0.5000 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
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0 0 0 0
1 6 1 0 0 0 0
4 11 1 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
S SKP 7
ID BMMCBZ2Po025
NAME 3- (4-Hydroxyphenyl) prop-2-enal
CAS_RN 2538-87-6
FORMULA C9H8O2
EXACTMASS 148.0524
AVERAGEMASS 148.1586
SMILES O=CC=Cc(c1)ccc(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05608
M END
