Mrv0541 11191316042D          

 16 18  0  0  0  0            999 V2000
   20.7036    1.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9914    1.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4200    1.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7078    2.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2792    1.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1363    1.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4200    3.0737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2750    2.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9914    3.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1363    2.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4962    1.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4920    2.9029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4158    0.5914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0089    2.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9956    0.5914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8527    3.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  3  2  0  0  0  0
 14 11  1  0  0  0  0
 15  2  1  0  0  0  0
 16 10  1  0  0  0  0
  7 10  1  0  0  0  0
  8  5  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
> <ID>
CHEBI:67362

> <NAME>
pisonin E

> <DEFINITION>
A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methyl group at position 2 and a methylenedioxy group across positions 6 and 7. It has been isolated from Pisonia aculeata.

> <STAR>
3

> <SYNONYM>
5-hydroxy-6,7-methylenedioxy-2-methylchromone

> <IUPAC_NAME>
9-hydroxy-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-8-one

> <FORMULA>
C11H8O5

> <MASS>
220.17820

> <MONOISOTOPIC_MASS>
220.03717

> <CHARGE>
0

> <SMILES>
Cc1cc(=O)c2c(O)c3OCOc3cc2o1

> <INCHI>
InChI=1S/C11H8O5/c1-5-2-6(12)9-7(16-5)3-8-11(10(9)13)15-4-14-8/h2-3,13H,4H2,1H3

> <INCHIKEY>
KTEVFEONFQOVDW-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
19400821

> <PUBMED_CITATION>
21542597

$$$$