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CHEBI:67775 - (+)-4-Acetoxymarilzallene

Default Structure
ChEBI IDCHEBI:67775
ChEBI Name(+)-4-Acetoxymarilzallene
Stars
DefinitionA natural product found in Laurencia marilzae.
Last Modified16 January 2020
DownloadsMolfile
FormulaC17H22BrClO3
Net Charge0
Average Mass389.717
Monoisotopic Mass388.04408
SMILESC/C=C/[C@H]1C/C=C\C[C@@H](Cl)[C@@H](C[C@H](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-RWVYZSKESA-N
Species of MetaboliteComponentSourceComments
Laurencia marilzae (ncbitaxon:99905) - PubMed (21338119) 1.CH2Cl2/MeOH(1:1) extract of fresh alga.2.Bromoallene stereo is 'S'
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 (CHEBI:67775) has role metabolite (CHEBI:25212)
(+)-4-Acetoxymarilzallene (CHEBI:67775) is a allenes (CHEBI:37602)
(+)-4-Acetoxymarilzallene (CHEBI:67775) is a oxacycle (CHEBI:38104)
Synonym  Source
(2R,3S)-5-Bromo-1-{(2R,3R,5Z,8R)-3-chloro-8-[(1E)-1-propen-1-yl]-3,4,7,8-tetrahydro-2H-oxocin-2-yl}-3,4-pentadien-2-yl acetateChEBI
Manual XrefsDatabases
27026675ChemSpider
Citations