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CHEBI:215201 - Secopenicillide B

ChEBI IDCHEBI:215201
ChEBI NameSecopenicillide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O8
Net Charge0
Average Mass444.480
Monoisotopic Mass444.17842
SMILESCOC(=O)c1c(Oc2c(O)cc(C)cc2C=O)ccc([C@H](CC(C)C)OC(C)=O)c1OC
InChIInChI=1S/C24H28O8/c1-13(2)9-20(31-15(4)26)17-7-8-19(21(23(17)29-5)24(28)30-6)32-22-16(12-25)10-14(3)11-18(22)27/h7-8,10-13,20,27H,9H2,1-6H3/t20-/m0/s1
InChIKeyIVYIJUUWHCVYGS-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Penicillium simplicissimum (ncbitaxon:69488) - PubMed (29435879)
ChEBI Ontology
Outgoing Relation(s)
Secopenicillide B (CHEBI:215201) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl 3-[(1S)-1-acetyloxy-3-methylbutyl]-6-(2-ormyl-6-hydroxy-4-methylphenoxy)-2-methoxybenzoate
Manual XrefsDatabases
78441140ChemSpider