Mol:Beta-Eudesmol
From Metabolomics.JP
ACD/Labs11200718272D 17 18 0 0 1 0 0 0 0 0 1 V2000 26.7102 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7102 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5583 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5583 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4066 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4066 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0139 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0139 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8620 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8620 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5583 -3.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7102 -4.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7102 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1657 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2174 -3.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4245 -3.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9070 -5.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 3 11 2 0 0 0 0 1 12 1 1 0 0 0 2 13 1 6 0 0 0 7 14 1 6 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 S SKP 5 ID Beta-Eudesmol FORMULA C15H26O EXACTMASS 222.198365454 AVERAGEMASS 222.36634 SMILES CC(C)(O)C(C1)CC([H])(C(=C)2)C(C)(CCC2)C1 M END