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CHEBI:145991 - 7-demethylsiderin

ChEBI IDCHEBI:145991
ChEBI Name7-demethylsiderin
Stars
DefinitionA member of the class of hydroxycoumarins that is coumarin which is substituted by methoxy, methyl, and hydroxy groups at positions 4, 5 and 7, respectively.
Last Modified6 February 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC11H10O4
Net Charge0
Average Mass206.197
Monoisotopic Mass206.05791
SMILESCOc1cc(=O)oc2cc(O)cc(C)c12
InChIInChI=1S/C11H10O4/c1-6-3-7(12)4-9-11(6)8(14-2)5-10(13)15-9/h3-5,12H,1-2H3
InChIKeyUMLNUFLSRYJZFA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cladosporium herbarum (ncbitaxon:29918) - PubMed (16038560) Strain: IFB-E002
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
7-demethylsiderin (CHEBI:145991) has functional parent 4,7-dihydroxy-5-methylcoumarin (CHEBI:146006)
7-demethylsiderin (CHEBI:145991) has role fungal metabolite (CHEBI:76946)
7-demethylsiderin (CHEBI:145991) is a aromatic ether (CHEBI:35618)
7-demethylsiderin (CHEBI:145991) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
7-hydroxy-4-methoxy-5-methyl-2H-chromen-2-one
Synonyms  Source
7-hydroxy-4-methoxy-5-methyl-2H-1-benzopyran-2-oneIUPAC
4-methoxy-5-methyl-7-hydroxycoumarinChEBI
UniProt Name  Source
7-demethylsiderinUniProt
Registry NumbersSources
CAS:41680-12-0ChEBI
Citations