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CHEBI:68702 - 5'-hydroxy-asperentin-8-O-methylether

ChEBI IDCHEBI:68702
ChEBI Name5'-hydroxy-asperentin-8-O-methylether
Stars
DefinitionA member of the class of isocoumarins that is asperentin-8-O-methylether substituted by a hydroxy group at position 5'. It has been isolated from Chaetomium globosum and Aspergillus flavus.
Last Modified13 January 2014
DownloadsMolfile
FormulaC17H22O6
Net Charge0
Average Mass322.357
Monoisotopic Mass322.14164
SMILES[H][C@]1(CC2Cc3cc(O)cc(OC)c3C(=O)O2)CCC(O)[C@H](C)O1
InChIInChI=1S/C17H22O6/c1-9-14(19)4-3-12(22-9)8-13-6-10-5-11(18)7-15(21-2)16(10)17(20)23-13/h5,7,9,12-14,18-19H,3-4,6,8H2,1-2H3/t9-,12+,13?,14?/m0/s1
InChIKeyWGJKMUHOVVKNEQ-VFEZIHALSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (17125234)
Aspergillus flavus (ncbitaxon:5059) - PubMed (4207788)
Roles Classification
Biological Roles:
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
5'-hydroxy-asperentin-8-O-methylether (CHEBI:68702) has functional parent asperentin (CHEBI:68792)
5'-hydroxy-asperentin-8-O-methylether (CHEBI:68702) has role Aspergillus metabolite (CHEBI:76956)
5'-hydroxy-asperentin-8-O-methylether (CHEBI:68702) has role Chaetomium metabolite (CHEBI:76960)
5'-hydroxy-asperentin-8-O-methylether (CHEBI:68702) is a aromatic ether (CHEBI:35618)
5'-hydroxy-asperentin-8-O-methylether (CHEBI:68702) is a isocoumarins (CHEBI:38758)
5'-hydroxy-asperentin-8-O-methylether (CHEBI:68702) is a phenols (CHEBI:33853)
5'-hydroxy-asperentin-8-O-methylether (CHEBI:68702) is a pyrans (CHEBI:26407)
IUPAC Name 
6-hydroxy-3-{[(2R,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]methyl}-8-methoxy-3,4-dihydro-1H-isochromen-1-one
Registry NumbersSources
Reaxys:15811806Reaxys
Citations