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CHEBI:141337 - botrallin

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:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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