Marvin  07041115092D          

 16 17  0  0  1  0            999 V2000
   10.8729  -12.5192    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8729  -13.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1584  -12.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1584  -13.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440  -12.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440  -13.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3019  -12.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3019  -13.3442    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5874  -12.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5874  -13.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1584  -14.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0164  -13.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0163  -14.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7309  -13.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7320  -14.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8729  -11.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  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
  4 11  1  0  0  0  0
  8 12  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  1  0  0  0
M  END
> <ID>
CHEBI:62513

> <NAME>
gamma-eudesmol

> <DEFINITION>
A eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-4 and C-5.

> <STAR>
3

> <SYNONYM>
Uncineol; Selinenol; Machilol; Gamma-eudesmol; (+)-gamma-eudesmol

> <IUPAC_NAME>
eudesm-4-en-11-ol; 2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-ol

> <FORMULA>
C15H26O

> <MASS>
222.36630

> <MONOISOTOPIC_MASS>
222.19837

> <CHARGE>
0

> <SMILES>
CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(C)(C)O

> <INCHI>
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15-/m1/s1

> <INCHIKEY>
WMOPMQRJLLIEJV-IUODEOHRSA-N

> <CAS_REGISTRY_NUMBER>
1209-71-8

> <REAXYS_REGISTRY_NUMBER>
5332265

> <KEGG_COMPOUND_ACCESSION>
C17124

> <PUBMED_CITATION>
11374955; 11411523; 11671565; 11836934; 17826984; 18495186; 19750507; 19768997; 20527953

$$$$