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CHEBI:189809 - Irenolone

ChEBI IDCHEBI:189809
ChEBI NameIrenolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H12O3
Net Charge0
Average Mass288.302
Monoisotopic Mass288.07864
SMILESO=C1C(O)=Cc2c(-c3ccc(O)cc3)ccc3cccc1c23
InChIInChI=1S/C19H12O3/c20-13-7-4-11(5-8-13)14-9-6-12-2-1-3-15-18(12)16(14)10-17(21)19(15)22/h1-10,20-21H
InChIKeyUQMKPTIDKHEGFW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sarcophaga peregrina (ncbitaxon:7386) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4102)
ChEBI Ontology
Outgoing Relation(s)
Irenolone (CHEBI:189809) is a benzenes (CHEBI:22712)
Irenolone (CHEBI:189809) is a naphthalenes (CHEBI:25477)
Irenolone (CHEBI:189809) is a ring assembly (CHEBI:36820)
IUPAC Name 
2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one
Manual XrefsDatabases
HMDB0040716HMDB
2035535ChemSpider