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CHEBI:174211 - Austdiol

ChEBI IDCHEBI:174211
ChEBI NameAustdiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O5
Net Charge0
Average Mass236.223
Monoisotopic Mass236.06847
SMILESCC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1
InChIInChI=1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3/t11-,12-/m0/s1
InChIKeyQVMUHZHZYCDMAI-RYUDHWBXSA-N
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)
Austdiol (CHEBI:174211) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde
Manual XrefsDatabases
37098ChemSpider
Registry NumbersSources
CAS:53043-28-0ChemIDplus