CHEBI:142640 - desmethylnectriapyrone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name desmethylnectriapyrone
ChEBI ID CHEBI:142640
Definition A member of the class of nectriapyrones that is pyran-2-one which is substituted at positions 3, 4, and 6 by methyl, hydroxy, and but-2-en-2-yl groups, respectively in which the butenyl substituent has E configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C10H12O3
Net Charge 0
Average Mass 180.201
Monoisotopic Mass 180.07864
InChI InChI=1S/C10H12O3/c1-4-6(2)9-5-8(11)7(3)10(12)13-9/h4-5,11H,1-3H3/b6-4+
InChIKey OBAWNXJOHPSFMJ-GQCTYLIASA-N
SMILES C=1(C=C(OC(C1C)=O)/C(/C)=C/C)O
ChEBI Ontology
Outgoing desmethylnectriapyrone (CHEBI:142640) is a nectriapyrones (CHEBI:142638)
desmethylnectriapyrone (CHEBI:142640) is a organic hydroxy compound (CHEBI:33822)
Incoming nectriapyrone (CHEBI:142639) has functional parent desmethylnectriapyrone (CHEBI:142640)
IUPAC Name
6-[(2E)-but-2-en-2-yl]-4-hydroxy-3-methyl-2H-pyran-2-one
Synonyms Sources
demethylnectriapyrone ChEBI
desmethylnectriapyrone UniProt
Citation Waiting for Citations Type Source
30443971 PubMed citation SUBMITTER
Last Modified
05 December 2018