Ketcher 11241616472D 1   1.00000     0.00000     0

 12 12  0     0  0            999 V2000
    7.6860   -6.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6860   -5.1988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8200   -6.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5520   -6.6988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8200   -7.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9540   -6.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9540   -8.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0880   -6.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0880   -7.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2220   -8.1988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4181   -6.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2841   -6.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  4  1  1  0     0  0
  5  3  2  0     0  0
  6  3  1  0     0  0
 11  4  1  0     0  0
  7  5  1  0     0  0
  8  6  2  0     0  0
  9  7  2  0     0  0
  9  8  1  0     0  0
 10  9  1  0     0  0
 12 11  1  0     0  0
M  END
> <ID>
CHEBI:31575

> <NAME>
ethylparaben

> <DEFINITION>
An ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol,

> <STAR>
3

> <SECONDARY_ID>
CHEBI:86616

> <SYNONYM>
p-Oxybenzoesaeureaethylester; p-hydroxybenzoic acid ethyl ester; Ethyl parahydroxybenzoate; ethyl paraben; ethyl p-hydroxybenzoate; E214; E-214; 4-hydroxybenzoic acid ethyl ester

> <IUPAC_NAME>
ethyl 4-hydroxybenzoate

> <FORMULA>
C9H10O3

> <MASS>
166.174

> <MONOISOTOPIC_MASS>
166.06299

> <CHARGE>
0

> <SMILES>
C(=O)(C1=CC=C(C=C1)O)OCC

> <INCHI>
InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3

> <INCHIKEY>
NUVBSKCKDOMJSU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
120-47-8

> <REAXYS_REGISTRY_NUMBER>
1101972

> <CHEMIDPLUS>
120-47-8

> <KEGG_DRUG_ACCESSION>
D01647

> <KNAPSACK_ACCESSION>
C00033837

> <NIST_CHEMISTRY_WEBBOOK>
120-47-8

> <PDBECHEM_ACCESSION>
E4B

> <WIKIPEDIA_ACCESSION>
Ethylparaben

> <PUBMED_CITATION>
26901724; 27106519; 27377865

$$$$