Marvin  03300614522D          

 14 15  0  0  0  0            999 V2000
   -0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4125    1.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0626    1.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  7  1  2  0  0  0  0
 10  9  2  0  0  0  0
  2 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  7  1  0  0  0  0
 11  4  1  0  0  0  0
  8  4  2  0  0  0  0
 13 11  1  0  0  0  0
  6 13  1  0  0  0  0
  5  8  1  0  0  0  0
  6  5  2  0  0  0  0
  4  1  1  0  0  0  0
 11 12  1  1  0  0  0
 13 14  1  1  0  0  0
M  END
> <ID>
CHEBI:32922

> <NAME>
(1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol

> <STAR>
3

> <SECONDARY_ID>
CHEBI:23279; CHEBI:10861

> <SYNONYM>
cis-3-Phenylcyclohexa-3,5-diene-1,2-diol; cis-2,3-dihydroxy-4-phenylhexa-4,6-diene; cis-2,3-dihydro-2,3-dihydroxybiphenyl; (2R,3S)-3-phenylcyclohexa-3,5-diene-1,2-diol; (1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol

> <IUPAC_NAME>
(1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol

> <FORMULA>
C12H12O2

> <MASS>
188.22248

> <MONOISOTOPIC_MASS>
188.08373

> <CHARGE>
0

> <SMILES>
O[C@H]1C=CC=C([C@H]1O)c1ccccc1

> <INCHI>
InChI=1S/C12H12O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,11-14H/t11-,12+/m0/s1

> <INCHIKEY>
UMAHGMFKBJHGME-NWDGAFQWSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6084109

> <CAS_REGISTRY_NUMBER>
34244-66-1

> <KEGG_COMPOUND_ACCESSION>
C06589

$$$$