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CHEBI:141338 - sporothriolide

Default Structure
ChEBI IDCHEBI:141338
ChEBI Namesporothriolide
Stars
DefinitionA furofuran that is (3aR,6aR)-hexahydrofuro[3,4-b]furan substituted by an oxo group at positions 2 and 4, methylene group at position 3 and by an hexyl group at position 6. It is a metabolite isolated from several species of fungi.
Last Modified8 October 2018
SubmitterR. Stephan
DownloadsMolfile
FormulaC13H18O4
Net Charge0
Average Mass238.283
Monoisotopic Mass238.12051
SMILES[H][C@]12C(=C)C(=O)O[C@@]1([H])[C@@]([H])(CCCCCC)OC2=O
InChIInChI=1S/C13H18O4/c1-3-4-5-6-7-9-11-10(13(15)16-9)8(2)12(14)17-11/h9-11H,2-7H2,1H3/t9-,10+,11+/m1/s1
InChIKeyAENZSPQGLJVLND-VWYCJHECSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon monticulosum (ncbitaxon:326669) - PubMed (29043802) Strain: CLL-205
Nodulisporium sp. A21 (ncbitaxon:1647372) - PubMed (27017876)
Sporothrix sp. (ncbitaxon:1902615) - PubMed (8119853) Strain: 700
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
sporothriolide (CHEBI:141338) has role antifungal agent (CHEBI:35718)
sporothriolide (CHEBI:141338) has role fungal metabolite (CHEBI:76946)
sporothriolide (CHEBI:141338) is a furofuran (CHEBI:47790)
sporothriolide (CHEBI:141338) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3aS,6R,6aR)-6-hexyl-3-methylenetetrahydrofuro[3,4-b]furan-2,4-dione
Manual XrefsDatabases
C00016931KNApSAcK
Registry NumbersSources
Reaxys:6808451Reaxys
CAS:154799-92-5KNApSAcK
CAS:154799-92-5ChemIDplus
Citations