Marvin  06110716242D          

 16 17  0  0  0  0            999 V2000
   -3.3082    1.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3082    0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938   -0.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938    1.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938    2.3688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3082    3.6063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3082    2.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0227    2.3688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7372    2.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480    1.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480    0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0634    0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0634    1.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1360    1.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5785    0.7188    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1360    0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4 10  2  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 13 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 12 15  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <ID>
CHEBI:34611

> <NAME>
carbofuran

> <STAR>
3

> <SYNONYM>
Furadan; carbofuran; Carbofuran; 2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate; 2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate

> <IUPAC_NAME>
2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate

> <FORMULA>
C12H15NO3

> <MASS>
221.25244

> <MONOISOTOPIC_MASS>
221.10519

> <CHARGE>
0

> <SMILES>
CNC(=O)Oc1cccc2CC(C)(C)Oc12

> <INCHI>
InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)

> <INCHIKEY>
DUEPRVBVGDRKAG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8312603

> <CAS_REGISTRY_NUMBER>
1563-66-2

> <CHEMIDPLUS>
1563-66-2

> <KEGG_COMPOUND_ACCESSION>
C14291

> <LINCS_ACCESSION>
LSM-3186

> <NIST_CHEMISTRY_WEBBOOK>
1563-66-2

$$$$