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CHEBI:183065 - Panicein A

ChEBI IDCHEBI:183065
ChEBI NamePanicein A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O3
Net Charge0
Average Mass338.447
Monoisotopic Mass338.18819
SMILESCOc1cc(C)c(CC/C(C)=C/CC2=CC(=O)C=CC2=O)c(C)c1C
InChIInChI=1S/C22H26O3/c1-14(6-8-18-13-19(23)9-11-21(18)24)7-10-20-15(2)12-22(25-5)17(4)16(20)3/h6,9,11-13H,7-8,10H2,1-5H3/b14-6+
InChIKeyNXLCEZDPQUVCRS-MKMNVTDBSA-N
Species of MetaboliteComponentSourceComments
Haliclona mucosa (NCBI:txid608209)Whole Organism (NCIT:C13413) MetaboLights (MTBLS638)
ChEBI Ontology
Outgoing Relation(s)
Panicein A (CHEBI:183065) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]cyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
9602606ChemSpider