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CHEBI:55497 - litreol

ChEBI IDCHEBI:55497
ChEBI Namelitreol
Stars
DefinitionCatechol carrying a pentadecenyl substituent at position 3.
Last Modified24 November 2014
Submitterzjosephs
DownloadsMolfile
FormulaC21H34O2
Net Charge0
Average Mass318.501
Monoisotopic Mass318.25588
SMILESCCCC/C=C\CCCCCCCCCc1cccc(O)c1O
InChIInChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h5-6,15,17-18,22-23H,2-4,7-14,16H2,1H3/b6-5-
InChIKeyWXZPKABXYFJVLD-WAYWQWQTSA-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)
litreol (CHEBI:55497) has role allergen (CHEBI:50904)
litreol (CHEBI:55497) is a catechols (CHEBI:33566)
IUPAC Name 
3-[(10Z)-pentadec-10-en-1-yl]benzene-1,2-diol
Synonyms  Source
3-(Pentadec-10-enyl)catecholChemIDplus
(Z)-3-(10-Pentadecenyl)-1,2-benzenediolChemIDplus
3-(10'Z-pentadecenyl)catecholChEBI
Registry NumbersSources
Reaxys:7816939Reaxys
CAS:83532-37-0ChemIDplus
Citations