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CHEBI:217603 - Pseudohalonectrin B

ChEBI IDCHEBI:217603
ChEBI NamePseudohalonectrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O3
Net Charge0
Average Mass260.333
Monoisotopic Mass260.14124
SMILESC/C=C/C1=C(C)C2=CC(=O)[C@@](C)(CC)[C@@H](O)C2=CO1
InChIInChI=1S/C16H20O3/c1-5-7-13-10(3)11-8-14(17)16(4,6-2)15(18)12(11)9-19-13/h5,7-9,15,18H,6H2,1-4H3/b7-5+/t15-,16+/m0/s1
InChIKeyQBKGXFXFUVDEMN-HRNFOAQLSA-N
Species of MetaboliteComponentSourceComments
Pseudohalonectria (ncbitaxon:40655) - PubMed (17020549)
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)
Pseudohalonectrin B (CHEBI:217603) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7S,8S)-7-ethyl-8-hydroxy-4,7-dimethyl-3-[(E)-prop-1-enyl]-8H-isochromen-6-one
Manual XrefsDatabases
78438138ChemSpider