Marvin  02241114002D          

 15 15  0  0  0  0            999 V2000
    0.0460   -0.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5990    0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8685    0.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3836    0.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5990   -0.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8504    1.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    0.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3836   -0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0460    1.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8504   -0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3647   -1.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    2.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1805   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0633   -1.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6385   -1.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  1  2  0  0  0  0
  1  5  1  0  0  0  0
  4  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <ID>
CHEBI:61478

> <NAME>
germacrene C

> <DEFINITION>
A sesquiterpenoid derived from germacrane by dehydrogenation at the 1,2- 3,4- and 7,8-positions.

> <STAR>
3

> <SYNONYM>
germacrene C; Germacren C

> <IUPAC_NAME>
(1E,3E,7E)-4-isopropyl-1,7-dimethylcyclodeca-1,3,7-triene

> <FORMULA>
C15H24

> <MASS>
204.35110

> <MONOISOTOPIC_MASS>
204.18780

> <CHARGE>
0

> <SMILES>
CC(C)C1=C/C=C(C)/CC\C=C(C)\CC\1

> <INCHI>
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,11-12H,5,7-8,10H2,1-4H3/b13-6+,14-9+,15-11+

> <INCHIKEY>
WYGLLWYGQRUNLF-XZCMGSLHSA-N

> <REAXYS_REGISTRY_NUMBER>
1941488

> <PUBMED_CITATION>
9482865

$$$$