Ketcher 07051616432D 1   1.00000     0.00000     0

 19 22  0     0  0            999 V2000
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   19.4179  -18.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4179  -17.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2838  -16.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1499  -17.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1499  -18.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0160  -18.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0160  -16.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8819  -17.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8819  -18.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6141  -15.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4802  -15.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4802  -16.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6141  -17.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0160  -15.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8819  -15.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7481  -15.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7481  -16.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6156  -18.3985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  8 15  2  0     0  0
  8  9  1  0     0  0
 18  9  2  0     0  0
  9 10  1  0     0  0
 10  7  2  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  8  5  1  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  7  6  1  0     0  0
 11 12  2  0     0  0
 11 17  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 18  1  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 14 19  1  0     0  0
M  END
> <ID>
CHEBI:132406

> <NAME>
chrysen-4-ol

> <DEFINITION>
A hydroxychrysene that is chrysene in which the hydrogen at position 4 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.

> <STAR>
3

> <SYNONYM>
4-hydroxychrysene; 4-chrysenol

> <IUPAC_NAME>
chrysen-4-ol

> <FORMULA>
C18H12O

> <MASS>
244.288

> <MONOISOTOPIC_MASS>
244.08882

> <CHARGE>
0

> <SMILES>
C=1C=CC=C2C3=CC=C4C=CC=C(C4=C3C=CC21)O

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

> <INCHIKEY>
CZCGRCFUEPALNV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
63019-40-9

> <REAXYS_REGISTRY_NUMBER>
3294466

> <CHEMIDPLUS>
63019-40-9

> <PUBMED_CITATION>
3690507

$$$$