shanorellin (CHEBI:156385)

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ChEBI Name	shanorellin

ChEBI ID	CHEBI:156385

Definition	A member of the class monohydroxy-1,4-benzoquinones that is 1,4-benzoquinone in which the hydrogens at positions 2, 3, 5 and 6 are replaced by hydroxy, methyl, methyl and hydroxymethyl groups, respectively. It is a secondary metabolite synthesized by several fungi of the Ascomycota phylum.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Martin Larralde

Supplier Information

Download	Molfile XML SDF

Formula

C9H10O4

Net Charge

Average Mass

182.175

Monoisotopic Mass

182.05791

InChI

InChI=1S/C9H10O4/c1-4-6(3-10)9(13)8(12)5(2)7(4)11/h10,12H,3H2,1-2H3

InChIKey

ISBZQQHZWPNKOK-UHFFFAOYSA-N

SMILES

CC1=C(O)C(=O)C(CO)=C(C)C1=O

Metabolite of Species	Details
Shanorella sp.rotricha (NCBI:txid113410)	See: DOI
Chaetomium globosum CBS 148.51 (NCBI:txid306901)	See: DOI

Roles Classification
Biological Role(s):	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	shanorellin (CHEBI:156385) has role fungal metabolite (CHEBI:76946) shanorellin (CHEBI:156385) is a β-hydroxy ketone (CHEBI:55380) shanorellin (CHEBI:156385) is a diol (CHEBI:23824) shanorellin (CHEBI:156385) is a monohydroxy-1,4-benzoquinones (CHEBI:67273)

IUPAC Name

2-hydroxy-6-(hydroxymethyl)-3,5-dimethylcyclohexa-2,5-diene-1,4-dione

Synonyms	Sources
2,6-dimethyl-3-hydroxymethyl-5-hydroxy-1,4-benzoquinone	ChemIDplus
2-hydroxy-6-hydroxymethyl-3,5-dimethyl-1,4-benzoquinone	ChEBI
2-hydroxy-6-hydroxymethyl-3,5-dimethyl-2,5-cyclohexadiene-1,4-dione	ChemIDplus

Registry Number	Type	Source
22631-97-6	CAS Registry Number	ChemIDplus

Last Modified

25 August 2020