Ketcher 07061514462D 1   1.00000     0.00000     0

 13 14  0     0  0            999 V2000
    6.0723  -10.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723   -8.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9383   -8.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723  -11.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723  -13.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9383   -9.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2063   -9.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2063   -8.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9383  -11.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8043  -11.3022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9383  -12.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2062  -12.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2062  -11.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0     0  0
  6  1  2  0     0  0
  8  7  2  0     0  0
  2  8  1  0     0  0
  2  3  2  0     0  0
  3  6  1  0     0  0
  9  4  1  0     0  0
 13  4  2  0     0  0
 11  9  2  0     0  0
  5 11  1  0     0  0
 12 13  1  0     0  0
  5 12  2  0     0  0
  4  1  1  0     0  0
  9 10  1  0     0  0
M  END
> <ID>
CHEBI:17043

> <NAME>
biphenyl-2-ol

> <DEFINITION>
A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11591; CHEBI:1146; CHEBI:19629

> <SYNONYM>
Orthophenyl phenol; o-phenylphenol; o-hydroxydiphenyl; o-hydroxybiphenyl; o-diphenylol; biphenyl-2-ol; 2-Phenylphenol; 2-Hydroxybiphenyl; 2-Biphenylol

> <IUPAC_NAME>
[1,1'-biphenyl]-2-ol

> <FORMULA>
C12H10O; C12H10O

> <MASS>
170.20720

> <MONOISOTOPIC_MASS>
170.07316

> <CHARGE>
0

> <SMILES>
Oc1ccccc1-c1ccccc1

> <INCHI>
InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H

> <INCHIKEY>
LLEMOWNGBBNAJR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
90-43-7

> <REAXYS_REGISTRY_NUMBER>
606907

> <CHEMIDPLUS>
90-43-7

> <KEGG_COMPOUND_ACCESSION>
C02499

> <KEGG_DRUG_ACCESSION>
D08367

> <NIST_CHEMISTRY_WEBBOOK>
90-43-7

> <WIKIPEDIA_ACCESSION>
Biphenyl-2-ol

> <PUBMED_CITATION>
14753781; 23156781; 23665931; 24525378

$$$$