CHEBI:168220 - 5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran

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 5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran
ChEBI ID CHEBI:168220
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H16O3
Net Charge 0
Average Mass 244.290
Monoisotopic Mass 244.10994
InChI InChI=1S/C15H16O3/c1-10(2)4-3-5-13(17)15-9-11-8-12(16)6-7-14(11)18-15/h4,6-9,16H,3,5H2,1-2H3
InChIKey LQWRIKCEOOIFSI-UHFFFAOYSA-N
SMILES O1C(C(=O)CCC=C(C)C)=CC2=C1C=CC(O)=C2
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran (CHEBI:168220) is a benzofurans (CHEBI:35259)
IUPAC Name
1-(5-hydroxy-1-benzouran-2-yl)-5-methylhex-4-en-1-one
Manual Xrefs Databases
8999487 ChemSpider
HMDB0031925 HMDB
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