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CHEBI:68703 - asperentin-8-methyl ether

ChEBI IDCHEBI:68703
ChEBI Nameasperentin-8-methyl ether
Stars
DefinitionA member of the class of isocoumarins that is asperentin in which the hydroxy group at position 8 has been replaced by a methoxy group. It is a fungal metabolite isolated from Chaetomium globosum.
Last Modified13 January 2014
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILES[H][C@]1(CC2Cc3cc(O)cc(OC)c3C(=O)O2)CCC[C@H](C)O1
InChIInChI=1S/C17H22O5/c1-10-4-3-5-13(21-10)9-14-7-11-6-12(18)8-15(20-2)16(11)17(19)22-14/h6,8,10,13-14,18H,3-5,7,9H2,1-2H3/t10-,13+,14?/m0/s1
InChIKeyCOFDRZBGPVKKJQ-CMVMAMJTSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (17125234)
Roles Classification
Biological Role:
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
ChEBI Ontology
Outgoing Relation(s)
asperentin-8-methyl ether (CHEBI:68703) has functional parent asperentin (CHEBI:68792)
asperentin-8-methyl ether (CHEBI:68703) has role Chaetomium metabolite (CHEBI:76960)
asperentin-8-methyl ether (CHEBI:68703) is a aromatic ether (CHEBI:35618)
asperentin-8-methyl ether (CHEBI:68703) is a isocoumarins (CHEBI:38758)
asperentin-8-methyl ether (CHEBI:68703) is a phenols (CHEBI:33853)
asperentin-8-methyl ether (CHEBI:68703) is a pyrans (CHEBI:26407)
IUPAC Name 
6-hydroxy-8-methoxy-3-{[(2R,6S)-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-one
Synonyms  Source
cladosporin 8-O-methyletherChEBI
asperentin 8-O-methyletherChEBI
Registry NumbersSources
Reaxys:8572589Reaxys
Citations