Ketcher 11221811202D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
   14.1408  -12.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2914  -12.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3920  -12.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5425  -12.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6931  -12.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7937  -12.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9902  -12.9916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  7  1  0     0  0
M  END
> <ID>
CHEBI:142625

> <NAME>
(2E,4E)-2,4-hexadien-1-ol

> <DEFINITION>
A medium-chain primary fatty alcohol that is hexan-1-ol with two trans double bonds at positions 2 and 4.

> <STAR>
3

> <SYNONYM>
trans-2,4-hexadienol; trans,trans-2,4-hexadien-1-ol; sorbyl alcohol; sorbic alcohol; (E,E)-hexa-2,4-dien-1-ol; (E,E)-2,4-hexadien-1-ol; (2E,4E)-2,4-hexadienol; (2E,4E)-2,4-hexadien-1-ol

> <IUPAC_NAME>
(2E,4E)-hexa-2,4-dien-1-ol

> <FORMULA>
C6H10O

> <MASS>
98.143

> <MONOISOTOPIC_MASS>
98.07316

> <CHARGE>
0

> <SMILES>
C(/C=C/C=C/C)O

> <INCHI>
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4+

> <INCHIKEY>
MEIRRNXMZYDVDW-MQQKCMAXSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1719722

> <CAS_REGISTRY_NUMBER>
17102-64-6

> <CHEMIDPLUS>
17102-64-6

> <NIST_CHEMISTRY_WEBBOOK>
17102-64-6

> <PUBMED_CITATION>
19563777

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