Mol:BMCCBR--q004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 1 0 0 0 0 0999 V2000
5.1816 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1816 1.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3156 2.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 1.7700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4496 0.7701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5836 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 -1.2299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3156 -0.7299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3156 0.2701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8930 -1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3157 -2.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1610 -2.7299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5836 -1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3156 -1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3751 -1.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4496 1.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9496 2.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1817 -0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 3.5021 0.0000 O 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 18 1 1 0 0 0
5 6 1 6 0 0 0
4 19 1 6 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
19 21 1 0 0 0 0
S SKP 8
ID BMCCBR--q004
NAME Kaur-16-en-19-ol
CAS_RN 2300-11-0
FORMULA C20H32O
EXACTMASS 288.2453
AVERAGEMASS 288.4674
SMILES OC[C@@](C)(C4)[C@@H](C3)[C@](C)(CC4)[C@H](C2)[C@](C1)(C3)C[C@@H](C2)C(=C)1
M END
