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CHEBI:66344 - Urceolatin

Default Structure
ChEBI IDCHEBI:66344
ChEBI NameUrceolatin
Stars
DefinitionA natural product found in Polysiphonia urceolata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H12Br2O6
Net Charge0
Average Mass520.129
Monoisotopic Mass517.90006
SMILESOc1cc(Cc2c(O)c(O)c3oc4c(O)c(Br)cc5ccc2c3c54)cc(Br)c1O
InChIInChI=1S/C21H12Br2O6/c22-11-4-7(5-13(24)17(11)26)3-10-9-2-1-8-6-12(23)18(27)20-14(8)15(9)21(29-20)19(28)16(10)25/h1-2,4-6,24-28H,3H2
InChIKeyMUCAQKAQNJJHBH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Polysiphonia urceolata (ncbitaxon:65404) - PubMed (18324823)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Urceolatin (CHEBI:66344) has role metabolite (CHEBI:25212)
Urceolatin (CHEBI:66344) is a phenanthrol (CHEBI:25962)
Synonym  Source
6-Bromo-1-(3-bromo-4,5-dihydroxybenzyl)phenanthro[4,5-bcd]furan-2,3,5-triolChEBI
Citations