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CHEBI:219387 - Penikellide A

ChEBI IDCHEBI:219387
ChEBI NamePenikellide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O6
Net Charge0
Average Mass372.417
Monoisotopic Mass372.15729
SMILESCOc1c(/C=C/C(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)O
InChIInChI=1S/C21H24O6/c1-12(2)5-6-14-7-8-17(18(21(24)25)20(14)26-4)27-19-15(11-22)9-13(3)10-16(19)23/h5-10,12,22-23H,11H2,1-4H3,(H,24,25)/b6-5+
InChIKeyJFQIIRFVRBOGJG-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2014.03.012)
ChEBI Ontology
Outgoing Relation(s)
Penikellide A (CHEBI:219387) is a aromatic ether (CHEBI:35618)
IUPAC Name 
6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-2-methoxy-3-[(E)-3-methylbut-1-enyl]benzoic acid
Manual XrefsDatabases
34982093ChemSpider