CHEBI:169538 - 4-(4-Methoxyphenyl)-2-butanone

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 4-(4-Methoxyphenyl)-2-butanone
ChEBI ID CHEBI:169538
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H14O2
Net Charge 0
Average Mass 178.231
Monoisotopic Mass 178.09938
InChI InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
InChIKey PCBSXBYCASFXTM-UHFFFAOYSA-N
SMILES O(C1=CC=C(CCC(=O)C)C=C1)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 4-(4-Methoxyphenyl)-2-butanone (CHEBI:169538) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
4-(4-methoxyphenyl)butan-2-one
Manual Xrefs Databases
54968 ChemSpider
HMDB0033597 HMDB
View more database links
Registry Number Type Source
104-20-1 CAS Registry Number ChemIDplus