CHEBI:180403 - 3-Hydroxy-4-phenylbutan-2-one

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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-Hydroxy-4-phenylbutan-2-one
ChEBI ID CHEBI:180403
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H12O2
Net Charge 0
Average Mass 164.204
Monoisotopic Mass 164.08373
InChI InChI=1S/C10H12O2/c1-8(11)10(12)7-9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3
InChIKey QBCUUJGHWFKMDC-UHFFFAOYSA-N
SMILES OC(CC1=CC=CC=C1)C(=O)C
ChEBI Ontology
Outgoing 3-Hydroxy-4-phenylbutan-2-one (CHEBI:180403) is a benzenes (CHEBI:22712)
IUPAC Name
3-hydroxy-4-phenylbutan-2-one
Manual Xrefs Databases
4934307 ChemSpider
HMDB0032336 HMDB
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Registry Number Type Source
5355-63-5 CAS Registry Number ChemIDplus