Mrv0541 11101412482D          

 13 15  0  0  0  0            999 V2000
   10.9121   -2.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   -1.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1974   -0.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4829   -2.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4829   -1.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3303   -2.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6157   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3303   -1.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1974   -2.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6157   -2.6366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0449   -2.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4642   -3.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3020   -3.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  7  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  4  2  0  0  0  0
  5  4  1  0  0  0  0
 10  6  1  0  0  0  0
  8  6  1  0  0  0  0
 11  6  2  0  0  0  0
  8  7  1  0  0  0  0
 13 12  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
> <ID>
CHEBI:45141

> <NAME>
pyroquilon

> <DEFINITION>
A pyrroloquinoline that is 1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline in which the hydrogens at position 4 are replaced by an oxo group. A fungicide used to control rice blast, it is not approved wof use within the European Union.

> <STAR>
3

> <SYNONYM>
pyroquilone; 1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one

> <IUPAC_NAME>
1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one

> <BRAND_NAME>
Lilolidone; Fongorene; Fongoren; Coratop

> <FORMULA>
C11H11NO

> <MASS>
173.21110

> <MONOISOTOPIC_MASS>
173.08406

> <CHARGE>
0

> <SMILES>
O=C1CCc2cccc3CCN1c23

> <INCHI>
InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2

> <INCHIKEY>
XRJLAOUDSILTFT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
57369-32-1

> <REAXYS_REGISTRY_NUMBER>
1455831

> <CHEMIDPLUS>
57369-32-1

> <KEGG_COMPOUND_ACCESSION>
C18487

> <PDBECHEM_ACCESSION>
PYQ

> <PESTICIDES_ACCESSION>
pyroquilon

> <AGRICOLA_CITATION>
IND92004973

> <PUBMED_CITATION>
24646830

$$$$