CHEBI:67775 - (+)-4-Acetoxymarilzallene

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ChEBI Name (+)-4-Acetoxymarilzallene
ChEBI ID CHEBI:67775
Definition A natural product found in Laurencia marilzae.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H22BrClO3
Net Charge 0
Average Mass 389.71200
Monoisotopic Mass 388.04408
InChI InChI=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
InChIKey BUAQGGUCIOVTOG-RWVYZSKESA-N
SMILES C\C=C\[C@H]1C\C=C/C[C@@H](Cl)[C@@H](C[C@@H](OC(C)=O)C=C=CBr)O1
Metabolite of Species Details
Laurencia marilzae (NCBI:txid99905) 1.CH2Cl2/MeOH(1:1) extract of fresh alga.2.Bromoallene stereo is 'S' See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing (+)-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 acetate ChEBI
Manual Xref Database
27026675 ChemSpider
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Citation Waiting for Citations Type Source
21338119 PubMed citation Europe PMC
Last Modified
16 January 2020
General Comment
2014-10-17 Suggested Classification: ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:organobromine compound(CHEBI:37141); ISA:ether(CHEBI:25698); ISA:organochlorine compound(CHEBI:36683); ISA:carbonyl compound(CHEBI:36586);