CDK     1030232200

 18 18  0  0  0  0  0  0  0  0999 V2000
    8.2068    2.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3862    2.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9014    3.2531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0507    1.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2302    1.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0876    0.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3072    0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7551   -0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1277    0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
  9 10  2  0  0  0  0 
M  END
> <ID>
CHEBI:208846

> <NAME>
Mumiamicin

> <STAR>
2

> <IUPAC_NAME>
(E)-3-(5-heptyl-3-methyluran-2-yl)prop-2-enoic acid

> <FORMULA>
C15H22O3

> <MASS>
250.338

> <MONOISOTOPIC_MASS>
250.15689

> <CHARGE>
0

> <SMILES>
O=C(O)/C=C/C=1OC(CCCCCCC)=CC1C

> <INCHI>
InChI=1S/C15H22O3/c1-3-4-5-6-7-8-13-11-12(2)14(18-13)9-10-15(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)/b10-9+

> <INCHIKEY>
MYRXTTUJWHOMGE-MDZDMXLPSA-N

$$$$