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CHEBI:209457 - Involutone

ChEBI IDCHEBI:209457
ChEBI NameInvolutone
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FormulaC17H12O6
Net Charge0
Average Mass312.277
Monoisotopic Mass312.06339
SMILESO=C1C=C(c2ccc(O)c(O)c2)C(=O)[C@]1(O)c1ccc(O)cc1
InChIInChI=1S/C17H12O6/c18-11-4-2-10(3-5-11)17(23)15(21)8-12(16(17)22)9-1-6-13(19)14(20)7-9/h1-8,18-20,23H/t17-/m0/s1
InChIKeyPUKDKINDUPUZLE-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Paxillus involutus (ncbitaxon:71150) - DOI (10.1139/v02-194)
ChEBI Ontology
Outgoing Relation(s)
Involutone (CHEBI:209457) is a catechols (CHEBI:33566)
IUPAC Name 
4-(3,4-dihydroxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione
Manual XrefsDatabases
78434845ChemSpider