69203
  CDK     0910211425

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.9409    0.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174    0.7156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3825    1.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6817   -1.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8971   -0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7256   -0.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532   -1.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2948   -0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694    0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848    1.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7299    1.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049    1.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2 13  1  0  0  0  0 
  3  9  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  6  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
M  END
> <ID>
CHEBI:179565

> <NAME>
Isoamyl 2-furoate

> <STAR>
2

> <IUPAC_NAME>
3-methylbutyl uran-2-carboxylate

> <FORMULA>
C10H14O3

> <MASS>
182.219

> <MONOISOTOPIC_MASS>
182.09429

> <CHARGE>
0

> <SMILES>
O(CCC(C)C)C(=O)C=1OC=CC1

> <INCHI>
InChI=1S/C10H14O3/c1-8(2)5-7-13-10(11)9-4-3-6-12-9/h3-4,6,8H,5,7H2,1-2H3

> <INCHIKEY>
FPBZWZKAUPNMMV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
615-12-3

> <CHEMIDPLUS>
615-12-3

$$$$