Ketcher 07061608212D 1   1.00000     0.00000     0

 19 22  0     0  0            999 V2000
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    5.1180  -21.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2527  -22.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1280  -18.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  4  1  1  0     0  0
  7  1  1  0     0  0
  3  2  1  0     0  0
  8  2  1  0     0  0
  6  3  2  0     0  0
 10  3  1  0     0  0
  5  4  2  0     0  0
  9  4  1  0     0  0
  6  5  1  0     0  0
 12  7  2  0     0  0
 15  7  1  0     0  0
 11  8  2  0     0  0
 14  9  2  0     0  0
 13 10  2  0     0  0
 13 11  1  0     0  0
 14 12  1  0     0  0
 18 12  1  0     0  0
 16 15  2  0     0  0
 17 16  1  0     0  0
 18 17  2  0     0  0
 15 19  1  0     0  0
M  END
> <ID>
CHEBI:132377

> <NAME>
benzo[c]phenanthren-1-ol

> <DEFINITION>
A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 1 has been replaced by a hydroxy group. A metabolite of benzo[c]phenanthrene.

> <STAR>
3

> <SYNONYM>
1-hydroxybenzo[c]phenanthrene; 1-benzo[c]phenanthrenol

> <IUPAC_NAME>
benzo[c]phenanthren-1-ol

> <FORMULA>
C18H12O

> <MASS>
244.288

> <MONOISOTOPIC_MASS>
244.08882

> <CHARGE>
0

> <SMILES>
C12=C3C(=CC=C1C=CC4=C2C(=CC=C4)O)C=CC=C3

> <INCHI>
InChI=1S/C18H12O/c19-16-7-3-5-13-10-11-14-9-8-12-4-1-2-6-15(12)17(14)18(13)16/h1-11,19H

> <INCHIKEY>
XTPJJWPXQDJTPH-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
2560466

> <PUBMED_CITATION>
17555855

$$$$