Mol:BMCCBR--0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 23 0 0 1 0 0 0 0 0999 V2000
5.1816 1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1816 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3156 2.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 1.2031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5836 0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 -0.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 -0.7969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3156 -0.2969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3156 0.7031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8930 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3157 -2.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1610 -2.2969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5836 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3156 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3751 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9496 3.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4496 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1817 0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9 8 1 0 0 0 0
13 12 1 0 0 0 0
12 11 1 0 0 0 0
9 11 1 6 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
10 5 1 0 0 0 0
4 19 1 0 0 0 0
5 6 1 6 0 0 0
4 18 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
10 20 1 6 0 0 0
10 9 1 1 0 0 0
8 14 1 6 0 0 0
13 14 1 6 0 0 0
10 1 1 0 0 0 0
13 16 1 0 0 0 0
1 2 1 0 0 0 0
8 15 1 1 0 0 0
16 15 1 0 0 0 0
16 17 2 0 0 0 0
2 3 1 0 0 0 0
S SKP 7
ID BMCCBR--0005
NAME ent-Kaur-16-ene
FORMULA C20H32
EXACTMASS 272.2504
AVERAGEMASS 272.468
SMILES C(C4)C[C@@](C)([C@@H](C4(C)C)3)[C@@H]([C@@](CC3)12)CC[C@H](C2)C(C1)=C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06090
M END
