2775720
  CDK     1112211142

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.8320   -0.8536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8320    0.8536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5794   -0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5794    0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  1 14  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2 15  1  0  0  0  0 
  3 16  1  0  0  0  0 
  4 16  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  9  2  0  0  0  0 
  6 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  2  0  0  0  0 
 10 13  1  0  0  0  0 
 11 13  2  0  0  0  0 
 12 16  1  0  0  0  0 
 14 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:183779

> <NAME>
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid

> <STAR>
2

> <IUPAC_NAME>
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid

> <FORMULA>
C12H14O4

> <MASS>
222.240

> <MONOISOTOPIC_MASS>
222.08921

> <CHARGE>
0

> <SMILES>
O1C=2C=C(CCCC(O)=O)C=CC2OCC1

> <INCHI>
InChI=1S/C12H14O4/c13-12(14)3-1-2-9-4-5-10-11(8-9)16-7-6-15-10/h4-5,8H,1-3,6-7H2,(H,13,14)

> <INCHIKEY>
ZFCRXHHGVUYVTG-UHFFFAOYSA-N

$$$$