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CHEBI:183068 - Panicein B3

ChEBI IDCHEBI:183068
ChEBI NamePanicein B3
Stars
Last Modified22 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O4
Net Charge0
Average Mass340.419
Monoisotopic Mass340.16746
SMILESC/C(=C\Cc1cc(O)ccc1O)CCc1c(C)cc(O)c(C=O)c1C
InChIInChI=1S/C21H24O4/c1-13(4-6-16-11-17(23)7-9-20(16)24)5-8-18-14(2)10-21(25)19(12-22)15(18)3/h4,7,9-12,23-25H,5-6,8H2,1-3H3/b13-4+
InChIKeyBCYBPYQVUROVFP-YIXHJXPBSA-N
Species of MetaboliteComponentSourceComments
Haliclona mucosa (ncbitaxon:608209) Whole Organism (NCIT:C13413) MetaboLights (MTBLS638)
ChEBI Ontology
Outgoing Relation(s)
Panicein B3 (CHEBI:183068) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3-[(E)-5-(2,5-dihydroxyphenyl)-3-methylpent-3-enyl]-6-hydroxy-2,4-dimethylbenzaldehyde
Manual XrefsDatabases
4578358ChemSpider