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CHEBI:226235 - Irpexine

ChEBI IDCHEBI:226235
ChEBI NameIrpexine
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FormulaC22H23NO7
Net Charge0
Average Mass413.426
Monoisotopic Mass413.14745
SMILESCC(C)=CCc1ccc(O)c([C@@H]2c3c(O)cc(C(=O)O)cc3C(=O)N2CCO)c1O
InChIInChI=1S/C22H23NO7/c1-11(2)3-4-12-5-6-15(25)18(20(12)27)19-17-14(21(28)23(19)7-8-24)9-13(22(29)30)10-16(17)26/h3,5-6,9-10,19,24-27H,4,7-8H2,1-2H3,(H,29,30)/t19-/m0/s1
InChIKeyPXRCUQWEOSZKOP-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Irpex lacteus (ncbitaxon:5319) - PubMed (32301614)
ChEBI Ontology
Outgoing Relation(s)
Irpexine (CHEBI:226235) is a isoindoles (CHEBI:24897)
IUPAC Name 
1-[2,6-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid
Manual XrefsDatabases
127410136ChemSpider