Ketcher 06162009162D 1   1.00000     0.00000     0

 12 12  0     0  0            999 V2000
    9.5341   -7.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3999   -7.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2661   -7.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2661   -6.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3999   -5.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5341   -6.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1320   -7.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3999   -4.5740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6679   -7.5740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1320   -5.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1320   -4.5740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9982   -6.0741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  2  0     0  0
  3  7  1  0     0  0
  5  8  1  0     0  0
  1  9  1  0     0  0
  4 10  1  0     0  0
 10 11  2  0     0  0
 10 12  1  0     0  0
M  END
> <ID>
CHEBI:155863

> <NAME>
2,4-dihydroxy-6-methylbenzaldehyde

> <DEFINITION>
A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogen at position 6 has been replaced by a methyl group. It is a fungal metabolite isolated from Grifola frondosa and Phlebiopsis gigantea.

> <STAR>
3

> <SYNONYM>
orsellinaldehyde; orcylaldehyde; orcinaldehyde; o-orsellinaldehyde; 6-methyl-beta-resorcyladehyde; 4-formyl-5-methylresorcinol; 4-formyl-5-methylbenzene-1,3-diol; 2-methyl-4,6-dihydroxybenzaldehyde; 2-formyl-5-hydroxy-3-methylphenol

> <IUPAC_NAME>
2,4-dihydroxy-6-methylbenzaldehyde

> <FORMULA>
C8H8O3

> <MASS>
152.149

> <MONOISOTOPIC_MASS>
152.04734

> <CHARGE>
0

> <SMILES>
C=1(C=C(C(=C(C1)O)C(=O)[H])C)O

> <INCHI>
InChI=1S/C8H8O3/c1-5-2-6(10)3-8(11)7(5)4-9/h2-4,10-11H,1H3

> <INCHIKEY>
LJFQTUKKYWDRAT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
487-69-4

> <CHEMIDPLUS>
487-69-4

> <PUBMED_CITATION>
17002422; 22510154; 29867500; 29895730; 30269491; 883459

$$$$