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CHEBI:200798 - Penikellide B

ChEBI IDCHEBI:200798
ChEBI NamePenikellide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O8
Net Charge0
Average Mass446.496
Monoisotopic Mass446.19407
SMILESCOc1c([C@H](CC(C)C)OC)ccc(Oc2c(O)cc(C)cc2COC(C)=O)c1C(=O)O
InChIInChI=1S/C24H30O8/c1-13(2)9-20(29-5)17-7-8-19(21(24(27)28)23(17)30-6)32-22-16(12-31-15(4)25)10-14(3)11-18(22)26/h7-8,10-11,13,20,26H,9,12H2,1-6H3,(H,27,28)/t20-/m0/s1
InChIKeyKHTVQHHROPEJOZ-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2014.03.012)
ChEBI Ontology
Outgoing Relation(s)
Penikellide B (CHEBI:200798) is a aromatic ether (CHEBI:35618)
IUPAC Name 
6-[2-(acetyloxymethyl)-6-hydroxy-4-methylphenoxy]-2-methoxy-3-[(1S)-1-methoxy-3-methylbutyl]benzoic acid
Manual XrefsDatabases
78440836ChemSpider