44575468
  CDK     0409211651

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.6500   -5.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -3.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    3.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    4.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    3.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    5.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -4.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    2.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    5.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -4.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -4.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    6.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -5.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -5.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -5.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  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  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 15  1  0  0  0  0 
 10 16  1  0  0  0  0 
 11 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 15 17  2  0  0  0  0 
 16 19  2  0  0  0  0 
 16 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
 20 23  2  0  0  0  0 
 22 24  2  0  0  0  0 
 23 24  1  0  0  0  0 
M  END
> <ID>
CHEBI:168324

> <NAME>
3-(10-Heptadecenyl)phenol

> <STAR>
2

> <IUPAC_NAME>
3-[(Z)-heptadec-10-enyl]phenol

> <FORMULA>
C23H38O

> <MASS>
330.556

> <MONOISOTOPIC_MASS>
330.29227

> <CHARGE>
0

> <SMILES>
OC=1C=C(CCCCCCCCC/C=C\CCCCCC)C=CC1

> <INCHI>
InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h7-8,17,19-21,24H,2-6,9-16,18H2,1H3/b8-7-

> <INCHIKEY>
BIEZSEGUHJMPKG-FPLPWBNLSA-N

$$$$