EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:66787 - seco-Pseudopteroxazole

ChEBI IDCHEBI:66787
ChEBI Nameseco-Pseudopteroxazole
Stars
DefinitionA natural product found in Pseudopterogorgia elisabethae.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H29NO
Net Charge0
Average Mass311.469
Monoisotopic Mass311.22491
SMILES[H][C@]1([C@@H](C)CCC=C(C)C)CC[C@@H](C)c2c1cc(C)c1ncoc21
InChIInChI=1S/C21H29NO/c1-13(2)7-6-8-14(3)17-10-9-15(4)19-18(17)11-16(5)20-21(19)23-12-22-20/h7,11-12,14-15,17H,6,8-10H2,1-5H3/t14-,15+,17+/m0/s1
InChIKeyHXPRVILAXUEVFC-ZMSDIMECSA-N
Species of MetaboliteComponentSourceComments
Pseudopterogorgia elisabethae (ncbitaxon:204377) - PubMed (10822593)
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)
seco-Pseudopteroxazole (CHEBI:66787) has role metabolite (CHEBI:25212)
seco-Pseudopteroxazole (CHEBI:66787) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
(6R,9R)-4,9-Dimethyl-6-[(2S)-6-methyl-5-hepten-2-yl]-6,7,8,9-tetrahydronaphtho[2,1-d][1,3]oxazoleChEBI
Citations