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CHEBI:141337 - botrallin

Default Structure
ChEBI IDCHEBI:141337
ChEBI Namebotrallin
Stars
DefinitionAn organic heterotricyclic compound that is 2,4a-dihydro-6H-benzo[c]chromen-6-one substituted by hydroxy groups at positions 1 and 7, an oxo group at position 2, methoxy groups at positions 3 and 9, and a methyl group at position 4a. It is isolated from Hyalodendriella species.
Last Modified22 January 2019
SubmitterR. Stephan
DownloadsMolfile
FormulaC16H14O7
Net Charge0
Average Mass318.281
Monoisotopic Mass318.07395
SMILESCOC1=CC2(C)OC(=O)c3c(O)cc(OC)cc3C2=C(O)C1=O
InChIInChI=1S/C16H14O7/c1-16-6-10(22-3)13(18)14(19)12(16)8-4-7(21-2)5-9(17)11(8)15(20)23-16/h4-6,17,19H,1-3H3
InChIKeyWNZWXVOIYRJRSM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hyalodendriella sp. Ponipodef 12 (ncbitaxon:941079) - PubMed (23011274)
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.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
botrallin (CHEBI:141337) has functional parent 6H-dibenzo[b,d]pyran-6-one (CHEBI:86511)
botrallin (CHEBI:141337) has role antifungal agent (CHEBI:35718)
botrallin (CHEBI:141337) has role antimicrobial agent (CHEBI:33281)
botrallin (CHEBI:141337) has role fungal metabolite (CHEBI:76946)
botrallin (CHEBI:141337) is a aromatic ether (CHEBI:35618)
botrallin (CHEBI:141337) is a benzochromene (CHEBI:38920)
botrallin (CHEBI:141337) is a enol (CHEBI:33823)
botrallin (CHEBI:141337) is a enol ether (CHEBI:47985)
botrallin (CHEBI:141337) is a organic heterotricyclic compound (CHEBI:26979)
botrallin (CHEBI:141337) is a organic hydroxy compound (CHEBI:33822)
botrallin (CHEBI:141337) is a δ-lactone (CHEBI:18946)
IUPAC Name 
1,7-dihydroxy-3,9-dimethoxy-4a-methyl-4aH-benzo[c]chromene-2,6-dione
Synonyms  Source
1,7-dihydroxy-3,9-dimethoxy-4a-methylbenzo[c][1]benzopyran-2,6-dioneChEBI
botrallinChEBI
Citations