Marvin  09210717422D          

  9  8  0  0  0  0            999 V2000
    1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  9  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
> <ID>
CHEBI:34118

> <NAME>
oct-1-en-3-ol

> <DEFINITION>
An alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1‒C-2. It is a major volatile compound present in many mushrooms and fungi.

> <STAR>
3

> <SYNONYM>
vinyl hexanol; vinyl amyl carbinol; octene-1-ol-3; mushroom alcohol; matsutake alcohol; amylvinylcarbinol; 3-octenol; 3-hydroxy-1-octene; 1-vinylhexanol; 1-octen-3-ol

> <IUPAC_NAME>
oct-1-en-3-ol

> <FORMULA>
C8H16O

> <MASS>
128.21204

> <MONOISOTOPIC_MASS>
128.12012

> <CHARGE>
0

> <SMILES>
CCCCCC(O)C=C

> <INCHI>
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3

> <INCHIKEY>
VSMOENVRRABVKN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1720733

> <CAS_REGISTRY_NUMBER>
3391-86-4

> <GMELIN_REGISTRY_NUMBER>
648361

> <REAXYS_REGISTRY_NUMBER>
1720733

> <CHEMIDPLUS>
3391-86-4

> <KEGG_COMPOUND_ACCESSION>
C14272

> <KNAPSACK_ACCESSION>
C00029423

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA05000090

> <NIST_CHEMISTRY_WEBBOOK>
3391-86-4

> <WIKIPEDIA_ACCESSION>
1-Octen-3-ol

> <AGRICOLA_CITATION>
IND606341911

> <PUBMED_CENTRAL_CITATION>
PMC8535600

> <PUBMED_CITATION>
17314143; 18387089; 24392920; 24418774; 24502386; 24999439; 26543554; 26620424; 28794307; 29943986; 30669983; 30923972; 31025195; 31585859; 31743740; 32632328; 32738015; 32753307; 32874217; 32890927; 33292700; 33396118; 33547806; 33619815

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