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CHEBI:68704 - 5'-hydroxyasperentin

ChEBI IDCHEBI:68704
ChEBI Name5'-hydroxyasperentin
Stars
DefinitionA member of the class of isocoumarins that is asperentin substituted by an additional hydroxy group at position 5'. It has been isolated from Chaetomium globosum and Aspergillus flavus.
Last Modified13 January 2014
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILES[H][C@]1(CC2Cc3cc(O)cc(O)c3C(=O)O2)CCC(O)[C@H](C)O1
InChIInChI=1S/C16H20O6/c1-8-13(18)3-2-11(21-8)7-12-5-9-4-10(17)6-14(19)15(9)16(20)22-12/h4,6,8,11-13,17-19H,2-3,5,7H2,1H3/t8-,11+,12?,13?/m0/s1
InChIKeyIEOXNDOOKTVJRQ-DRBGTSAUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - PubMed (4207788)
Chaetomium globosum (ncbitaxon:38033) - PubMed (17125234)
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'-hydroxyasperentin (CHEBI:68704) has functional parent asperentin (CHEBI:68792)
5'-hydroxyasperentin (CHEBI:68704) has role Aspergillus metabolite (CHEBI:76956)
5'-hydroxyasperentin (CHEBI:68704) has role Chaetomium metabolite (CHEBI:76960)
5'-hydroxyasperentin (CHEBI:68704) is a isocoumarins (CHEBI:38758)
5'-hydroxyasperentin (CHEBI:68704) is a pyrans (CHEBI:26407)
5'-hydroxyasperentin (CHEBI:68704) is a resorcinols (CHEBI:33572)
IUPAC Name 
6,8-dihydroxy-3-{[(2R,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-one
Registry NumbersSources
Reaxys:15811808Reaxys
Citations