Mol:BMCCBR--q001
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 2 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
5.7601 -0.4237 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
1 6 1 6 0 0 0
5 6 1 6 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
3 11 1 6 0 0 0
4 10 2 0 0 0 0
1 5 1 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
S SKP 7
ID BMCCBR--q001
NAME (+)-cis-Sabinol
FORMULA C10H16O
EXACTMASS 152.1201
AVERAGEMASS 152.2334
SMILES CC(C)[C@](C2)(C1)[C@@H](C(=C)[C@H](O)2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02213
M END
