Ketcher 03021816022D 1   1.00000     0.00000     0

 12 12  0     0  0            999 V2000
    7.3840   -3.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5179   -4.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5179   -5.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3840   -5.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2501   -5.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2501   -4.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3840   -2.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520   -3.8674    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520   -5.8675    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    7.3840   -6.8675    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    9.1160   -5.8675    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    9.1160   -3.8674    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  1  7  1  0     0  0
  2  8  1  0     0  0
  3  9  1  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  6 12  1  0     0  0
M  END
> <ID>
CHEBI:33853

> <NAME>
phenols

> <DEFINITION>
Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:2857; CHEBI:13664; CHEBI:13825; CHEBI:25969; CHEBI:29322

> <SYNONYM>
Aryl alcohol; arenols; a phenol

> <IUPAC_NAME>
phenols

> <FORMULA>
C6HOR5

> <MASS>
89.072

> <MONOISOTOPIC_MASS>
89.00274

> <CHARGE>
0

> <SMILES>
C1(=C(C(=C(C(=C1*)*)*)*)*)O

> <KEGG_COMPOUND_ACCESSION>
C15584

> <METACYC_ACCESSION>
Phenols

> <WIKIPEDIA_ACCESSION>
Phenols

$$$$