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CHEBI:68218 - aspergillusene A

ChEBI IDCHEBI:68218
ChEBI Nameaspergillusene A
Stars
DefinitionA sesquiterpenoid that is phenol substituted by a hydroxymethyl group at position 5 and a (2E)-6-methylhept-2-en-2-yl group at position 2. An Aspergillus metabolite isolated from the sea fan derived fungus Aspergillus sydowii.
Last Modified13 January 2014
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESC/C(=C\CCC(C)C)c1ccc(CO)cc1O
InChIInChI=1S/C15H22O2/c1-11(2)5-4-6-12(3)14-8-7-13(10-16)9-15(14)17/h6-9,11,16-17H,4-5,10H2,1-3H3/b12-6+
InChIKeyNWPUHDAIOGMKFI-WUXMJOGZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sydowii (ncbitaxon:75750) - PubMed (21718031) Ethyl acetate extract of culture broth, fungus isolated from a sea fan, Annella sp. Strain: PSU F154
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
aspergillusene A (CHEBI:68218) has role Aspergillus metabolite (CHEBI:76956)
aspergillusene A (CHEBI:68218) is a benzyl alcohols (CHEBI:22743)
aspergillusene A (CHEBI:68218) is a phenols (CHEBI:33853)
aspergillusene A (CHEBI:68218) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
5-(hydroxymethyl)-2-[(2E)-6-methylhept-2-en-2-yl]phenol
Synonym  Source
(E)-5-(hydroxymethyl)-2-(6'-methylhept-2'-en-2'-yl)phenolChEBI
Registry NumbersSources
Reaxys:21708354Reaxys
Citations