Ketcher 07052214372D 1   1.00000     0.00000     0

 14 15  0     0  0            999 V2000
   -2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  5  2  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  8 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 11  5  1  0     0  0
  6 13  2  0     0  0
 13 14  1  0     0  0
 14  2  2  0     0  0
M  END
> <ID>
CHEBI:192524

> <NAME>
7-methylmellein

> <DEFINITION>
An isochromane that is mellein bearing an additional methyl substituent at position 7.

> <STAR>
3

> <SYNONYM>
8-hydroxy-3,7-dimethyl-3,4-dihydroisochromen-1-one; 8-hydroxy-3,7-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one; 7-MM; 7-methylmellein; 3,4-dihydro-8-hydroxy-3,7-dimethylisocoumarin

> <IUPAC_NAME>
8-hydroxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-1-one

> <FORMULA>
C11H12O3

> <MASS>
192.214

> <MONOISOTOPIC_MASS>
192.07864

> <CHARGE>
0

> <SMILES>
CC1CC2=CC=C(C)C(O)=C2C(=O)O1

> <INCHI>
InChI=1S/C11H12O3/c1-6-3-4-8-5-7(2)14-11(13)9(8)10(6)12/h3-4,7,12H,5H2,1-2H3

> <INCHIKEY>
SLYRNFYMGDTQEZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1799965-79-9

> <METACYC_ACCESSION>
CPD-22718

> <PUBMED_CITATION>
27422838; 28834621; 30054361

$$$$