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CHEBI:213880 - Monavalerolactone

ChEBI IDCHEBI:213880
ChEBI NameMonavalerolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O4
Net Charge0
Average Mass234.251
Monoisotopic Mass234.08921
SMILESCc1cc(O)cc(O)c1/C=C1/C[C@@H](C)OC1=O
InChIInChI=1S/C13H14O4/c1-7-3-10(14)6-12(15)11(7)5-9-4-8(2)17-13(9)16/h3,5-6,8,14-15H,4H2,1-2H3/b9-5-/t8-/m1/s1
InChIKeyQBPTZOFXQJQIJS-CPJBWDMUSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (32194170)
ChEBI Ontology
Outgoing Relation(s)
Monavalerolactone (CHEBI:213880) is a resorcinols (CHEBI:33572)
IUPAC Name 
(3Z,5R)-3-[(2,4-dihydroxy-6-methylphenyl)methylidene]-5-methyloxolan-2-one
Manual XrefsDatabases
97510528ChemSpider