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CHEBI:168254 - 5-(3',5')-Dihydroxyphenyl-gamma-valerolactone

Default Structure
ChEBI IDCHEBI:168254
ChEBI Name5-(3',5')-Dihydroxyphenyl-gamma-valerolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O4
Net Charge0
Average Mass210.229
Monoisotopic Mass210.08921
SMILESOc1cc(O)cc(CC2CCC(O)O2)c1
InChIInChI=1S/C11H14O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10-14H,1-2,5H2
InChIKeyNYNURYJSLOFNTQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
5-(3',5')-Dihydroxyphenyl-gamma-valerolactone (CHEBI:168254) is a resorcinols (CHEBI:33572)
IUPAC Name 
5-[(5-hydroxyoxolan-2-yl)methyl]benzene-1,3-diol
Manual XrefsDatabases
35032832ChemSpider
HMDB0029187HMDB