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CHEBI:203424 - Secopenicillide C

ChEBI IDCHEBI:203424
ChEBI NameSecopenicillide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O6
Net Charge0
Average Mass358.390
Monoisotopic Mass358.14164
SMILESCc1cc(O)c(Oc2ccc(/C=C/C(C)C)c(O)c2C(=O)O)c(CO)c1
InChIInChI=1S/C20H22O6/c1-11(2)4-5-13-6-7-16(17(18(13)23)20(24)25)26-19-14(10-21)8-12(3)9-15(19)22/h4-9,11,21-23H,10H2,1-3H3,(H,24,25)/b5-4+
InChIKeyFQHVDLXMHXCBHH-SNAWJCMRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (22008698)
ChEBI Ontology
Outgoing Relation(s)
Secopenicillide C (CHEBI:203424) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-3-[(E)-3-methylbut-1-enyl]benzoic acid
Manual XrefsDatabases
78434763ChemSpider