EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:157724 - 11-Hydroxy-12-methoxydihydrokawain

ChEBI IDCHEBI:157724
ChEBI Name11-Hydroxy-12-methoxydihydrokawain
Stars
Last Modified24 July 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O5
Net Charge0
Average Mass278.304
Monoisotopic Mass278.11542
SMILESCOC1=CC(=O)OC(CCc2ccc(OC)c(O)c2)C1
InChIInChI=1S/C15H18O5/c1-18-12-8-11(20-15(17)9-12)5-3-10-4-6-14(19-2)13(16)7-10/h4,6-7,9,11,16H,3,5,8H2,1-2H3
InChIKeyQQLVNWDQIUZGJM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Piper methysticum (ncbitaxon:130404)
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
lateral root (BTO:0005441) MetaboLights (MTBLS1485) Strain: Piper methysticum cv. Loa Kasa Leka
ChEBI Ontology
Outgoing Relation(s)
11-Hydroxy-12-methoxydihydrokawain (CHEBI:157724) is a 2-pyranones (CHEBI:75885)
11-Hydroxy-12-methoxydihydrokawain (CHEBI:157724) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
Manual XrefsDatabases
509813ChemSpider
HMDB0030766HMDB