Marvin  01130615312D          

 15 17  0  0  0  0            999 V2000
   -2.0482   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3337    0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3337   -1.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0482   -0.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192   -0.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8097   -0.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953   -1.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8097   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953    0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8097    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5242    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5242    0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387   -0.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  2  6  2  0  0  0  0
  5  3  2  0  0  0  0
  3  4  1  0  0  0  0
  8  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6 10  1  0  0  0  0
  9  7  1  0  0  0  0
  7  8  2  0  0  0  0
 14  9  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:27528

> <NAME>
1-phenanthrol

> <STAR>
3

> <SECONDARY_ID>
CHEBI:667; CHEBI:19081

> <SYNONYM>
1-Phenanthrol; 1-phenanthrenol; 1-hydroxyphenanthrene

> <IUPAC_NAME>
phenanthren-1-ol

> <FORMULA>
C14H10O

> <MASS>
194.22860

> <MONOISOTOPIC_MASS>
194.07316

> <CHARGE>
0

> <SMILES>
Oc1cccc2c1ccc1ccccc21

> <INCHI>
InChI=1S/C14H10O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9,15H

> <INCHIKEY>
GTBXZWADMKOZQJ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1869717

> <CAS_REGISTRY_NUMBER>
2433-56-9

> <CHEMIDPLUS>
2433-56-9

> <KEGG_COMPOUND_ACCESSION>
C11432

> <NIST_CHEMISTRY_WEBBOOK>
2433-56-9

$$$$