CHEBI:168284 - Citreovirenone

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 Citreovirenone
ChEBI ID CHEBI:168284
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/c1-9-3-11(15)8-14(18-9)6-10-4-12(16)7-13(5-10)17-2/h4-5,7-9,16H,3,6H2,1-2H3/t9-/m0/s1
InChIKey WMCPLZDBHVOXCJ-VIFPVBQESA-N
SMILES O1[C@H](CC(=O)C=C1CC=2C=C(OC)C=C(O)C2)C
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 Citreovirenone (CHEBI:168284) is a methoxybenzenes (CHEBI:51683)
Citreovirenone (CHEBI:168284) is a phenols (CHEBI:33853)
IUPAC Name
(2S)-6-[(3-hydroxy-5-methoxyphenyl)methyl]-2-methyl-2,3-dihydropyran-4-one