Marvin  11200612212D          

 15 18  0  0  0  0            999 V2000
   -1.3337   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3337    0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953    0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192    0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192    1.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953    1.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192   -0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8097   -0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8097   -1.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953   -2.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192   -1.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8097    0.7425    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8097    1.5675    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5242    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  2  0  0  0  0
  6 14  1  0  0  0  0
 14 13  1  0  0  0  0
 13  3  1  0  0  0  0
  7  1  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  8  2  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4  5  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:25955

> <NAME>
3,4-epoxy-3,4-dihydrophenanthrene

> <STAR>
3

> <SYNONYM>
phenanthrene-3,4-oxide; phenanthrene 3,4-oxide

> <IUPAC_NAME>
1a,9c-dihydrophenanthro[3,4-b]oxirene

> <FORMULA>
C14H10O

> <MASS>
194.22860

> <MONOISOTOPIC_MASS>
194.07316

> <CHARGE>
0

> <SMILES>
O1C2C=Cc3ccc4ccccc4c3C12

> <INCHI>
InChI=1S/C14H10O/c1-2-4-11-9(3-1)5-6-10-7-8-12-14(15-12)13(10)11/h1-8,12,14H

> <INCHIKEY>
SHJAOFFXDWCMOC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1344514

> <CAS_REGISTRY_NUMBER>
39834-45-2

> <CHEMIDPLUS>
39834-45-2

$$$$