Ketcher 08032011502D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:137565

> <NAME>
(3E,7E)-dolabella-3,7-dien-18-ol

> <DEFINITION>
A tricyclic diterpene with formula C20H32 which is produced by a diterpene cyclase gene expressed in roots of Arabidopsis.

> <STAR>
3

> <SYNONYM>
(3E,7E)-dolabella-3,7-dien-18-ol; (1R,3E,7E,11S,12R)-dolabella-3,7-diene-18-ol

> <IUPAC_NAME>
2-[(1R,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl]propan-2-ol

> <FORMULA>
C20H34O

> <MASS>
290.491

> <MONOISOTOPIC_MASS>
290.26097

> <CHARGE>
0

> <SMILES>
[H][C@@]12CC\C(C)=C\CC\C(C)=C\C[C@@]1(C)CC[C@H]2C(C)(C)O

> <INCHI>
InChI=1S/C20H34O/c1-15-7-6-8-16(2)11-13-20(5)14-12-17(19(3,4)21)18(20)10-9-15/h7,11,17-18,21H,6,8-10,12-14H2,1-5H3/b15-7+,16-11+/t17-,18+,20+/m1/s1

> <INCHIKEY>
OEBBSSBZPLXOHC-HJHANVIFSA-N

> <REAXYS_REGISTRY_NUMBER>
10284389

> <METACYC_ACCESSION>
CPD-20109

> <PUBMED_CITATION>
27933080

$$$$