Ketcher 07192214472D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:192753

> <NAME>
alpha-cembratrien-ol

> <DEFINITION>
A diterpene

> <STAR>
2

> <FORMULA>
C20H34O

> <MASS>
290.491

> <MONOISOTOPIC_MASS>
290.26097

> <CHARGE>
0

> <SMILES>
C1C[C@](C=CC(CCC(=CCCC(=C1)C)C)C(C)C)(C)O

> <INCHI>
InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10+,18-9+/t19?,20-/m0/s1

> <INCHIKEY>
YAPXSYXFLHDPCK-OIZBMDILSA-N

> <PUBMED_CITATION>
20495852

$$$$