74477
  CDK     0602212311

 17 19  0  0  0  0  0  0  0  0999 V2000
    3.3690   -1.7238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    0.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5885    1.8848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1496   -0.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1496   -1.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8640   -0.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5786   -0.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8640   -1.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5786   -1.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3293   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359    0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917    1.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2  6  1  0  0  0  0 
  2 15  1  0  0  0  0 
  3 15  2  0  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 13  1  0  0  0  0 
 10 11  2  0  0  0  0 
 12 14  2  0  0  0  0 
 13 16  1  0  0  0  0 
 13 17  2  0  0  0  0 
 14 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:174165

> <NAME>
Oroselone

> <STAR>
2

> <IUPAC_NAME>
8-prop-1-en-2-yluro[2,3-h]chromen-2-one

> <FORMULA>
C14H10O3

> <MASS>
226.231

> <MONOISOTOPIC_MASS>
226.06299

> <CHARGE>
0

> <SMILES>
O1C2=C(C=3OC(=O)C=CC3C=C2)C=C1C(C)=C

> <INCHI>
InChI=1S/C14H10O3/c1-8(2)12-7-10-11(16-12)5-3-9-4-6-13(15)17-14(9)10/h3-7H,1H2,2H3

> <INCHIKEY>
FQCPXIJRWHRHIP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1760-27-6

> <CHEMIDPLUS>
1760-27-6

$$$$