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CHEBI:67773 - rel-3-((1S,2S,4R,6R,7S,9R,11R,12R)-2-Bromo-12-chloro-7-methyl-5,8,14-trioxa-tricyclo[9.2.1.0[4,6]]tetradec-9-yl)-acrylic acid methyl ester

ChEBI IDCHEBI:67773
ChEBI Namerel-3-((1S,2S,4R,6R,7S,9R,11R,12R)-2-Bromo-12-chloro-7-methyl-5,8,14-trioxa-tricyclo[9.2.1.0[4,6]]tetradec-9-yl)-acrylic acid methyl ester
Stars
DefinitionA natural product found in Laurencia marilzae.
Last Modified22 September 2014
DownloadsMolfile
FormulaC16H22BrClO5
Net Charge0
Average Mass409.704
Monoisotopic Mass408.03391
SMILES[H][C@@]12C[C@H](/C=C/C(=O)OC)O[C@@H](C)[C@@]3([H])O[C@]3([H])C[C@H](Br)[C@]([H])(C[C@H]1Cl)O2
InChIInChI=1S/C16H22BrClO5/c1-8-16-14(23-16)6-10(17)12-7-11(18)13(22-12)5-9(21-8)3-4-15(19)20-2/h3-4,8-14,16H,5-7H2,1-2H3/b4-3+/t8-,9-,10-,11+,12-,13+,14+,16+/m0/s1
InChIKeyNZBKCNQQOBHOFJ-VERMWBLASA-N
Species of MetaboliteComponentSourceComments
Laurencia marilzae (ncbitaxon:99905) - PubMed (21338119) CH2Cl2/MeOH(1:1,v/v) extract of fresh alga
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)
rel-3-((1S,2S,4R,6R,7S,9R,11R,12R)-2-Bromo-12-chloro-7-methyl-5,8,14-trioxa-tricyclo[9.2.1.0[4,6]]tetradec-9-yl)-acrylic acid methyl ester (CHEBI:67773) has role metabolite (CHEBI:25212)
rel-3-((1S,2S,4R,6R,7S,9R,11R,12R)-2-Bromo-12-chloro-7-methyl-5,8,14-trioxa-tricyclo[9.2.1.0[4,6]]tetradec-9-yl)-acrylic acid methyl ester (CHEBI:67773) is a fatty acid ester (CHEBI:35748)
Citations