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CHEBI:140612 - (8Z,11Z)-urushiol III

ChEBI IDCHEBI:140612
ChEBI Name(8Z,11Z)-urushiol III
Stars
ASCII Name(8Z,11Z)-urushiol III
DefinitionCatechol substituted at position 3 with an (8Z,11Z)-pentadeca-8,11-dien-1-yl group. Stereoisomer of urushiol III (CHEBI:9909) which has (8E,11E) configuration.
Last Modified4 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H32O2
Net Charge0
Average Mass316.485
Monoisotopic Mass316.24023
SMILESCCC/C=C\C/C=C\CCCCCCCc1cccc(O)c1O
InChIInChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-
InChIKeyRMTXUPIIESNLPW-UTOQUPLUSA-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)
(8Z,11Z)-urushiol III (CHEBI:140612) has role allergen (CHEBI:50904)
(8Z,11Z)-urushiol III (CHEBI:140612) is a catechols (CHEBI:33566)
IUPAC Name 
3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol
Synonyms  Source
urushiol (C15:2)ChEBI
urushiol IIIChemIDplus
Manual XrefsDatabases
6F8PDBeChem
5J1APDB
Registry NumbersSources
CAS:83258-37-1ChemIDplus
Citations