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CHEBI:68010 - lehualide J

ChEBI IDCHEBI:68010
ChEBI Namelehualide J
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 10-(methylsulfinyl)decyl group at position 6. It has been isolated from the marine sponge of the genus Plakortis.
Last Modified17 March 2014
DownloadsMolfile
FormulaC19H32O5S
Net Charge0
Average Mass372.527
Monoisotopic Mass372.19705
SMILESCOc1c(C)c(CCCCCCCCCCS(C)=O)oc(=O)c1OC
InChIInChI=1S/C19H32O5S/c1-15-16(24-19(20)18(23-3)17(15)22-2)13-11-9-7-5-6-8-10-12-14-25(4)21/h5-14H2,1-4H3
InChIKeyCNSMFTLWDBUIIS-UHFFFAOYSA-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 J (CHEBI:68010) has role animal metabolite (CHEBI:75767)
lehualide J (CHEBI:68010) is a 2-pyranones (CHEBI:75885)
lehualide J (CHEBI:68010) is a ether (CHEBI:25698)
lehualide J (CHEBI:68010) is a polyketide (CHEBI:26188)
lehualide J (CHEBI:68010) is a sulfoxide (CHEBI:22063)
IUPAC Name 
3,4-dimethoxy-5-methyl-6-[10-(methylsulfinyl)decyl]-2H-pyran-2-one
Registry NumbersSources
Reaxys:21452353Reaxys
Citations