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CHEBI:183081 - Renierin-1

ChEBI IDCHEBI:183081
ChEBI NameRenierin-1
Stars
Last Modified22 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33BrO
Net Charge0
Average Mass393.409
Monoisotopic Mass392.17148
SMILESC#CC#CC(=O)CCCCCCCCC/C=C(/Br)CCCCCC
InChIInChI=1S/C22H33BrO/c1-3-5-7-14-17-21(23)18-15-12-10-8-9-11-13-16-20-22(24)19-6-4-2/h2,18H,3,5,7-17,20H2,1H3/b21-18+
InChIKeyZDDKURBFNLVZHK-DYTRJAOYSA-N
Species of MetaboliteComponentSourceComments
Haliclona fulva (ncbitaxon:608202) Whole Organism (NCIT:C13413) MetaboLights (MTBLS638)
ChEBI Ontology
Outgoing Relation(s)
Renierin-1 (CHEBI:183081) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
(E)-16-bromodocos-15-en-1,3-diyn-5-one
Manual XrefsDatabases
10470109ChemSpider