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CHEBI:141338 - sporothriolide

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
Nodulisporium sp. A21 (ncbitaxon:1647372) - PubMed (27017876)
Sporothrix sp. (ncbitaxon:1902615) - PubMed (8119853) Strain: 700
Hypoxylon monticulosum (ncbitaxon:326669) - PubMed (29043802) Strain: CLL-205
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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)
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