CHEBI:193982 - 3-benzyl-4-hydroxybutan-2-one

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 3-benzyl-4-hydroxybutan-2-one
ChEBI ID CHEBI:193982
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(13)11(8-12)7-10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3
InChIKey QIEPEXBZWZNCAY-UHFFFAOYSA-N
SMILES OCC(CC1=CC=CC=C1)C(=O)C
Metabolite of Species Details
mock community culture Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-benzyl-4-hydroxybutan-2-one (CHEBI:193982) is a benzenes (CHEBI:22712)
IUPAC Name
3-benzyl-4-hydroxybutan-2-one
Manual Xref Database
9042186 ChemSpider
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