Mol:BMCCBR--p002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 12 0 0 1 0 0 0 0 0999 V2000
3.5000 0.8364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1910 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8090 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 0.8364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0000 1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -1.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7601 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 6 1 6 0 0 0
5 6 1 6 0 0 0
5 4 1 0 0 0 0
1 5 1 0 0 0 0
4 11 2 0 0 0 0
1 7 1 1 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
3 10 2 0 0 0 0
S SKP 7
ID BMCCBR--p002
NAME (+)-Sabinone
FORMULA C10H14O
EXACTMASS 150.1044
AVERAGEMASS 150.2175
SMILES CC(C)[C@](C2)(C1)[C@@H](C(=C)C(=O)2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01868
M END
