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CHEBI:142640 - desmethylnectriapyrone

ChEBI IDCHEBI:142640
ChEBI Namedesmethylnectriapyrone
Stars
DefinitionA 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.
Last Modified5 December 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC10H12O3
Net Charge0
Average Mass180.203
Monoisotopic Mass180.07864
SMILESC/C=C(\C)c1cc(O)c(C)c(=O)o1
InChIInChI=1S/C10H12O3/c1-4-6(2)9-5-8(11)7(3)10(12)13-9/h4-5,11H,1-3H3/b6-4+
InChIKeyOBAWNXJOHPSFMJ-GQCTYLIASA-N
ChEBI Ontology
Outgoing Relation(s)
desmethylnectriapyrone (CHEBI:142640) is a nectriapyrones (CHEBI:142638)
desmethylnectriapyrone (CHEBI:142640) is a organic hydroxy compound (CHEBI:33822)
Incoming Relation(s)
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
Synonym  Source
demethylnectriapyroneChEBI
UniProt Name  Source
desmethylnectriapyroneUniProt
Citations