Marvin  06290716162D          

 10 10  0  0  0  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:16008

> <NAME>
salicylaldehyde

> <DEFINITION>
A hydroxybenzaldehyde carrying a hydroxy substituent at position 2.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:26593; CHEBI:49777; CHEBI:9005; CHEBI:15060

> <SYNONYM>
Salizylaldehyd; salicylaldehyde; Salicylaldehyde; Salicylaldehyd; salicylal; o-Hydroxybenzaldehyde; o-formylphenol; 2-Hydroxybenzaldehyde

> <IUPAC_NAME>
2-hydroxybenzaldehyde

> <FORMULA>
C7H6O2

> <MASS>
122.12134

> <MONOISOTOPIC_MASS>
122.03678

> <CHARGE>
0

> <SMILES>
[H]C(=O)c1ccccc1O

> <INCHI>
InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H

> <INCHIKEY>
SMQUZDBALVYZAC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
471388

> <CAS_REGISTRY_NUMBER>
90-02-8

> <GMELIN_REGISTRY_NUMBER>
3273

> <REAXYS_REGISTRY_NUMBER>
471388

> <CHEMIDPLUS>
90-02-8

> <KEGG_COMPOUND_ACCESSION>
C06202

> <METACYC_ACCESSION>
SALICYLALDEHYDE

> <NIST_CHEMISTRY_WEBBOOK>
90-02-8

> <PDBECHEM_ACCESSION>
NK

> <WIKIPEDIA_ACCESSION>
Salicylaldehyde

> <PUBMED_CITATION>
18247142; 23379671; 23715243

$$$$