Marvin  10160719272D          

 11 10  0  0  0  0            999 V2000
   -2.1434    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  1  2  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
M  END
> <ID>
CHEBI:17447

> <NAME>
geraniol

> <DEFINITION>
A monoterpenoid consisting of two prenyl units linked head-to-tail and functionalised with a hydroxy group at its tail end.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5329; CHEBI:14297; CHEBI:24219

> <SYNONYM>
trans-geraniol; trans-3,7-dimethyl-2,6-octadien-1-ol; t-geraniol; lemonol; geranyl alcohol; Geraniol; 3,7-dimethyl-trans-2,6-octadien-1-ol; 2-trans-3,7-Dimethyl-2,6-octadien-1-ol; (E)-nerol; (E)-geraniol; (E)-3,7-dimethyl-2,6-octadien-1-ol; (2E)-geraniol; (2E)-3,7-dimethyl-2,6-octadien-1-ol

> <IUPAC_NAME>
(2E)-3,7-dimethylocta-2,6-dien-1-ol

> <FORMULA>
C10H18O

> <MASS>
154.24932

> <MONOISOTOPIC_MASS>
154.13577

> <CHARGE>
0

> <SMILES>
CC(C)=CCC\C(C)=C\CO

> <INCHI>
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+

> <INCHIKEY>
GLZPCOQZEFWAFX-JXMROGBWSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1722456

> <CAS_REGISTRY_NUMBER>
106-24-1

> <GMELIN_REGISTRY_NUMBER>
185248

> <CHEMIDPLUS>
106-24-1

> <KEGG_COMPOUND_ACCESSION>
C01500

> <KNAPSACK_ACCESSION>
C00000845

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0102010016

> <NIST_CHEMISTRY_WEBBOOK>
106-24-1

> <WIKIPEDIA_ACCESSION>
Geraniol

> <PUBMED_CITATION>
18824010; 20573166; 23102596; 23108028; 23168261; 23200656; 23399806; 23415329; 23499697; 23510343

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