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CHEBI:67776 - (-)-4-Acetoxymarilzallene, (rel)-

ChEBI IDCHEBI:67776
ChEBI Name(-)-4-Acetoxymarilzallene, (rel)-
Stars
DefinitionA natural product found in Laurencia marilzae.
Last Modified6 July 2021
DownloadsMolfile
FormulaC17H22BrClO3
Net Charge0
Average Mass389.717
Monoisotopic Mass388.04408
SMILESC/C=C/[C@H]1C/C=C\C[C@@H](Cl)[C@@H](CC(C=C=CBr)OC(C)=O)O1
InChIInChI=1S/C17H22BrClO3/c1-3-7-14-8-4-5-10-16(19)17(22-14)12-15(9-6-11-18)21-13(2)20/h3-5,7,9,11,14-17H,8,10,12H2,1-2H3/b5-4-,7-3+/t6?,14-,15?,16+,17+/m0/s1
InChIKeyBUAQGGUCIOVTOG-VCFDFAHUSA-N
Species of MetaboliteComponentSourceComments
Laurencia marilzae (ncbitaxon:99905) - PubMed (21338119)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(-)-4-Acetoxymarilzallene, (rel)- (CHEBI:67776) has role metabolite (CHEBI:25212)
(-)-4-Acetoxymarilzallene, (rel)- (CHEBI:67776) is a allenes (CHEBI:37602)
(-)-4-Acetoxymarilzallene, (rel)- (CHEBI:67776) is a oxacycle (CHEBI:38104)
Citations