CHEBI:226162 - Pestalotioquinol E

ChEBI IDCHEBI:226162
ChEBI NamePestalotioquinol E
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SubmitterMetaboLights
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FormulaC21H26O2
Net Charge0
Average Mass310.437
Monoisotopic Mass310.19328
SMILESC=C(C#Cc1cc(O)ccc1O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C21H26O2/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-15-20(22)13-14-21(19)23/h7,9,13-15,22-23H,4-6,8,10H2,1-3H3/b17-9+
InChIKeyWXUBHLFYGYMBEU-RQZCQDPDSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis neglecta (ncbitaxon:173184) - PubMed (32283019)
ChEBI Ontology
Outgoing Relation(s)
Pestalotioquinol E (CHEBI:226162) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dien-1-ynyl]benzene-1,4-diol
Manual XrefsDatabases
85696889ChemSpider