EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:68743 - chaetoviridin C

ChEBI IDCHEBI:68743
ChEBI Namechaetoviridin C
Stars
DefinitionAn azaphilone that is 9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a 3-hydroxy-2-methylbutanoyl group at position 9, a methyl group at position 6a and a 3-methylpent-1-en-1yl group at position 3. It has been isolated from Chaetomium globosum.
Secondary ChEBI IDCHEBI:67612
Last Modified15 October 2013
DownloadsMolfile
FormulaC23H27ClO6
Net Charge0
Average Mass434.916
Monoisotopic Mass434.14962
SMILES[H][C@@]1(C(=O)[C@@H](C)[C@H](C)O)C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C/[C@@H](C)CC)OC=C3[C@]12[H]
InChIInChI=1S/C23H27ClO6/c1-6-11(2)7-8-14-9-15-16(10-29-14)18-17(20(26)12(3)13(4)25)22(28)30-23(18,5)21(27)19(15)24/h7-13,17-18,25H,6H2,1-5H3/b8-7+/t11-,12-,13-,17+,18+,23-/m0/s1
InChIKeyDLQPRUDQTOCNPH-FLWIEKMGSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033)
mycelium (BTO:0001436) PubMed (21548578) Endophytic fungus in leaves of Viguiera robusta, EtOAc extract of culture broth and mycelium
- PubMed (21548578)
Roles Classification
Biological Roles:
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
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)
chaetoviridin C (CHEBI:68743) has role Chaetomium metabolite (CHEBI:76960)
chaetoviridin C (CHEBI:68743) is a azaphilone (CHEBI:50941)
chaetoviridin C (CHEBI:68743) is a enone (CHEBI:51689)
chaetoviridin C (CHEBI:68743) is a organic heterotricyclic compound (CHEBI:26979)
chaetoviridin C (CHEBI:68743) is a organochlorine compound (CHEBI:36683)
chaetoviridin C (CHEBI:68743) is a secondary alcohol (CHEBI:35681)
chaetoviridin C (CHEBI:68743) is a β-hydroxy ketone (CHEBI:55380)
chaetoviridin C (CHEBI:68743) is a γ-lactone (CHEBI:37581)
Incoming Relation(s)
12β-hydroxychaetoviridin C (CHEBI:67618) has functional parent chaetoviridin C (CHEBI:68743)
IUPAC Name 
rel(6aS,9R,9aS)-5-chloro-9-[(2S,3S)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(1E,3S)-3-methylpent-1-en-1-yl]-9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione
Manual XrefsDatabases
10270652ChemSpider
Registry NumbersSources
Reaxys:21577525Reaxys
Citations