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CHEBI:9909 - urushiol III

Default Structure
ChEBI IDCHEBI:9909
ChEBI Nameurushiol III
Stars
DefinitionCatechol substituted at position 3 with an (8E,11E)-pentadeca-8,11-dien-1-yl group. One constituent of uroshiol, an allergenic plant sap produced by members of the Toxicodendron genus, such as T. radicans (poison ivy) and T. diversilobum (poison oak).
Last Modified18 April 2018
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-AOSYACOCSA-N
ChEBI Ontology
Outgoing Relation(s)
urushiol III (CHEBI:9909) is a catechols (CHEBI:33566)
IUPAC Name 
3-[(8E,11E)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol
Synonyms  Source
3-(8,11-Pentadecadienyl)-1,2-benzenediolKEGG COMPOUND
Urushiol IIIKEGG COMPOUND
Manual XrefsDatabases
C00002681KNApSAcK
C10839KEGG COMPOUND
CPD-9593MetaCyc
Registry NumbersSources
CAS:492-91-1KEGG COMPOUND