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CHEBI:224434 - Parellin

Default Structure
ChEBI IDCHEBI:224434
ChEBI NameParellin
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SubmitterMetaboLights
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FormulaC18H15ClO6
Net Charge0
Average Mass362.765
Monoisotopic Mass362.05572
SMILESCOc1c(C)c2c(c(C)c1Cl)Oc1c(C=O)c(O)cc(C)c1C(=O)O2
InChIInChI=1S/C18H15ClO6/c1-7-5-11(21)10(6-20)17-12(7)18(22)25-16-9(3)14(23-4)13(19)8(2)15(16)24-17/h5-6,21H,1-4H3
InChIKeyFZBRFXCENCOJRK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ochrolechia parella (ncbitaxon:129506) - PubMed (17256903)
ChEBI Ontology
Outgoing Relation(s)
Parellin (CHEBI:224434) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2-chloro-9-hydroxy-3-methoxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde
Manual XrefsDatabases
17267243ChemSpider