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CHEBI:59111 - 3-pentadecylcatechol

ChEBI IDCHEBI:59111
ChEBI Name3-pentadecylcatechol
Stars
DefinitionCatechol substituted at position 3 with a pentadecyl group.
Secondary ChEBI IDCHEBI:103066
Last Modified12 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H36O2
Net Charge0
Average Mass320.517
Monoisotopic Mass320.27153
SMILESCCCCCCCCCCCCCCCc1cccc(O)c1O
InChIInChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h15,17-18,22-23H,2-14,16H2,1H3
InChIKeyDQTMTQZSOJMZSF-UHFFFAOYSA-N
Roles Classification
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
3-pentadecylcatechol (CHEBI:59111) has role allergen (CHEBI:50904)
3-pentadecylcatechol (CHEBI:59111) is a catechols (CHEBI:33566)
IUPAC Name 
3-pentadecylbenzene-1,2-diol
Synonyms  Source
3-Pentadecyl-benzene-1,2-diolChEMBL
3-n-PentadecylpyrocatecholChemIDplus
DihydrorhengolChemIDplus
HydroureshiolChemIDplus
TetrahydrourushiolChemIDplus
3-PentadecacatecholChemIDplus
Registry NumbersSources
Beilstein:1885390Beilstein
Reaxys:1885390Reaxys
CAS:492-89-7ChemIDplus
Citations