131832929
  CDK     0523222200

 16 16  0  0  0  0  0  0  0  0999 V2000
    5.2223    0.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    3.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  2 14  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  2  0  0  0  0 
 14 16  2  0  0  0  0 
 15 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:192130

> <NAME>
3-[(1Z)-3-hydroxy-2-pentylprop-1-en-1-yl]phenol

> <STAR>
2

> <IUPAC_NAME>
3-[(Z)-2-(hydroxymethyl)hept-1-enyl]phenol

> <FORMULA>
C14H20O2

> <MASS>
220.312

> <MONOISOTOPIC_MASS>
220.14633

> <CHARGE>
0

> <SMILES>
OC\C(\CCCCC)=C/C1=CC(O)=CC=C1

> <INCHI>
InChI=1S/C14H20O2/c1-2-3-4-6-13(11-15)9-12-7-5-8-14(16)10-12/h5,7-10,15-16H,2-4,6,11H2,1H3/b13-9-

> <INCHIKEY>
YHQAGFFHBSFEOC-LCYFTJDESA-N

$$$$