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CHEBI:67789 - Obtusallene X, (rel)-

ChEBI IDCHEBI:67789
ChEBI NameObtusallene X, (rel)-
Stars
DefinitionA natural product found in Laurencia marilzae.
Last Modified16 January 2020
DownloadsMolfile
FormulaC15H20Br3ClO3
Net Charge0
Average Mass523.487
Monoisotopic Mass519.86511
SMILES[H][C@@]12C[C@H](C=C=CBr)O[C@@H](C)[C@@H](O)[C@H](Br)C[C@H](Br)[C@]([H])(C[C@H]1Cl)O2
InChIInChI=1S/C15H20Br3ClO3/c1-8-15(20)11(18)6-10(17)13-7-12(19)14(22-13)5-9(21-8)3-2-4-16/h3-4,8-15,20H,5-7H2,1H3/t2?,8-,9-,10-,11+,12+,13-,14+,15+/m0/s1
InChIKeyOHASWVSPSQGKRD-MTXXWRRWSA-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)
Obtusallene X, (rel)- (CHEBI:67789) has role metabolite (CHEBI:25212)
Obtusallene X, (rel)- (CHEBI:67789) is a allenes (CHEBI:37602)
Obtusallene X, (rel)- (CHEBI:67789) is a oxolanes (CHEBI:26912)
Synonym  Source
rel-(1R,3R,5S,6R,7R,9S,10S,12R)-7,9-Dibromo-3-[(1S)-3-bromopropadienyl]-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridecan-6-olChEBI
Manual XrefsDatabases
27026673ChemSpider
Citations