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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name p-Hydroxy-7,8-dihydrokavain
ChEBI ID CHEBI:157728
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H16O4
Net Charge 0
Average Mass 248.278
Monoisotopic Mass 248.10486
InChI InChI=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
InChIKey CATKBYILMDGPTP-UHFFFAOYSA-N
SMILES O1C(CCC2=CC=C(O)C=C2)CC(OC)=CC1=O
Metabolite of Species Details
Piper methysticum (NCBI:txid130404) Found in crown root (PO:0000043). of strain Piper methysticum cv. Loa Kasa Leka See: MetaboLights Study
Piper methysticum (NCBI:txid130404) Found in stem (BTO:0001300). of strain Piper methysticum cv. Loa Kasa Leka See: MetaboLights Study
Piper methysticum (NCBI:txid130404) Found in lateral root (BTO:0005441). of strain Piper methysticum cv. Loa Kasa Leka See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
22943400 ChemSpider
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