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CHEBI:157713 - Dihydrokavain

ChEBI IDCHEBI:157713
ChEBI NameDihydrokavain
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O3
Net Charge0
Average Mass232.279
Monoisotopic Mass232.10994
SMILESCOC1=CC(=O)O[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C14H16O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t12-/m0/s1
InChIKeyVOOYTQRREPYRIW-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Piper methysticum (ncbitaxon:130404)
crown root (PO:0000043) MetaboLights (MTBLS1485) Strain: Piper methysticum cv. Loa Kasa Leka
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
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Dihydrokavain (CHEBI:157713) is a 2-pyranones (CHEBI:75885)
Dihydrokavain (CHEBI:157713) is a aromatic ether (CHEBI:35618)
IUPAC Names 
(2S)-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
Manual XrefsDatabases
8395748ChemSpider
88817ChemSpider
HMDB0029504HMDB
Registry NumbersSources
CAS:587-63-3ChemIDplus