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CHEBI:68005 - lehualide E

ChEBI IDCHEBI:68005
ChEBI Namelehualide E
Stars
DefinitionA member of the class of 2-pyranones that is 2H-pyran-2-one substituted by methoxy groups at positions 3 and 4, a methyl group at position 5 and a (2E)-3-methyl-9-phenylnon-2-en-1-yl group at position 6. It has been isolated from the marine sponge of the genus Plakortis.
Last Modified17 March 2014
DownloadsMolfile
FormulaC24H32O4
Net Charge0
Average Mass384.516
Monoisotopic Mass384.23006
SMILESCOc1c(C)c(C/C=C(\C)CCCCCCc2ccccc2)oc(=O)c1OC
InChIInChI=1S/C24H32O4/c1-18(12-8-5-6-9-13-20-14-10-7-11-15-20)16-17-21-19(2)22(26-3)23(27-4)24(25)28-21/h7,10-11,14-16H,5-6,8-9,12-13,17H2,1-4H3/b18-16+
InChIKeyDIYBBDCQEOAATG-FBMGVBCBSA-N
Species of MetaboliteComponentSourceComments
Plakortis (ncbitaxon:86044) - PubMed (21351759) Methanolic extract of frozen sample
Roles Classification
Biological Role:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
lehualide E (CHEBI:68005) has role animal metabolite (CHEBI:75767)
lehualide E (CHEBI:68005) is a 2-pyranones (CHEBI:75885)
lehualide E (CHEBI:68005) is a ether (CHEBI:25698)
lehualide E (CHEBI:68005) is a polyketide (CHEBI:26188)
IUPAC Name 
3,4-dimethoxy-5-methyl-6-[(2E)-3-methyl-9-phenylnon-2-en-1-yl]-2H-pyran-2-one
Registry NumbersSources
Reaxys:21452354Reaxys
Citations