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CHEBI:30986 - frequentin

ChEBI IDCHEBI:30986
ChEBI Namefrequentin
Stars
DefinitionAn antibiotic produced by Penicillium frequentans Westling.
Last Modified6 November 2013
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILES[H]C(=O)[C@@H]1C(=O)[C@H](O)[C@H](O)CC1/C=C/C=C/CCC
InChIInChI=1S/C14H20O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h4-7,9-12,14,16,18H,2-3,8H2,1H3/b5-4+,7-6+/t10?,11-,12+,14+/m0/s1
InChIKeyMHZVWXOKIRZLCJ-RVZXZRSKSA-N
Roles Classification
Biological Roles:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
frequentin (CHEBI:30986) has role Penicillium metabolite (CHEBI:76964)
frequentin (CHEBI:30986) is a carbocyclic antibiotic (CHEBI:49319)
frequentin (CHEBI:30986) is a hydroxycyclohexanone (CHEBI:24693)
IUPAC Name 
(1R,3R,4R)-6-[(1E,3E)-hepta-1,3-dienyl]-3,4-dihydroxy-2-oxocyclohexanecarbaldehyde
Registry NumbersSources
Beilstein:2621429Beilstein
CAS:29119-03-7ChemIDplus