EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204663 - Chaetomugilin R

Default Structure
ChEBI IDCHEBI:204663
ChEBI NameChaetomugilin R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21ClO5
Net Charge0
Average Mass328.792
Monoisotopic Mass328.10775
SMILESC[C@H](O)[C@@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@@H](O)[C@@H]2CO1
InChIInChI=1S/C16H21ClO5/c1-8(9(2)18)4-5-10-6-11-12(7-22-10)14(19)16(3,21)15(20)13(11)17/h4-6,8-9,12,14,18-19,21H,7H2,1-3H3/b5-4+/t8-,9-,12+,14-,16+/m0/s1
InChIKeyHYQLBUHERBRGKE-HKOMCDGQSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (21640594)
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)
Chaetomugilin R (CHEBI:204663) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7R,8S,8aS)-5-chloro-7,8-dihydroxy-3-[(E,3S,4S)-4-hydroxy-3-methylpent-1-enyl]-7-methyl-8,8a-dihydro-1H-isochromen-6-one
Manual XrefsDatabases
26607353ChemSpider