CHEBI:67789 - Obtusallene X, (rel)-

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ChEBI Name Obtusallene X, (rel)-
ChEBI ID CHEBI:67789
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 C15H20Br3ClO3
Net Charge 0
Average Mass 523.48300
Monoisotopic Mass 519.86511
InChI InChI=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
InChIKey OHASWVSPSQGKRD-MTXXWRRWSA-N
SMILES [H][C@@]12C[C@@H](O[C@@H](C)[C@@H](O)[C@H](Br)C[C@H](Br)[C@]([H])(C[C@H]1Cl)O2)C=C=CBr
Metabolite of Species Details
Laurencia marilzae (NCBI:txid99905) CH2Cl2/MeOH(1:1,v/v) extract of fresh alga 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 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-ol ChEBI
Manual Xref Database
27026673 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:secondary alcohol(CHEBI:35681); ISA:organobromine compound(CHEBI:37141); ISA:alcohol(CHEBI:30879); ISA:ether(CHEBI:25698); ISA:organochlorine compound(CHEBI:36683);