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CHEBI:157728 - p-Hydroxy-7,8-dihydrokavain

ChEBI IDCHEBI:157728
ChEBI Namep-Hydroxy-7,8-dihydrokavain
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESCOC1=CC(=O)OC(CCc2ccc(O)cc2)C1
InChIInChI=1S/C14H16O4/c1-17-13-8-12(18-14(16)9-13)7-4-10-2-5-11(15)6-3-10/h2-3,5-6,9,12,15H,4,7-8H2,1H3
InChIKeyCATKBYILMDGPTP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Piper methysticum (ncbitaxon:130404)
lateral root (BTO:0005441) MetaboLights (MTBLS1485) Strain: Piper methysticum cv. Loa Kasa Leka
stem (BTO:0001300) MetaboLights (MTBLS1485) Strain: Piper methysticum cv. Loa Kasa Leka
crown root (PO:0000043) MetaboLights (MTBLS1485) Strain: Piper methysticum cv. Loa Kasa Leka
ChEBI Ontology
Outgoing Relation(s)
p-Hydroxy-7,8-dihydrokavain (CHEBI:157728) is a 2-pyranones (CHEBI:75885)
p-Hydroxy-7,8-dihydrokavain (CHEBI:157728) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
Manual XrefsDatabases
22943400ChemSpider