CHEBI:157713 - Dihydrokavain

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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 Dihydrokavain
ChEBI ID CHEBI:157713
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H16O3
Net Charge 0
Average Mass 232.279
Monoisotopic Mass 232.10994
InChI InChI=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
InChIKey VOOYTQRREPYRIW-LBPRGKRZSA-N
SMILES O1[C@@H](CCC2=CC=CC=C2)CC(OC)=CC1=O
Metabolite of Species Details
Piper methysticum (NCBI:txid130404) Found in lateral root (BTO:0005441). 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 crown root (PO:0000043). of strain Piper methysticum cv. Loa Kasa Leka See: MetaboLights Study
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
8395748 ChemSpider
88817 ChemSpider
HMDB0029504 HMDB
View more database links
Registry Number Type Source
587-63-3 CAS Registry Number ChemIDplus