CHEBI:173748 - 3,4-Dihydroxyphenylacetone

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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 3,4-Dihydroxyphenylacetone
ChEBI ID CHEBI:173748
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H10O3
Net Charge 0
Average Mass 166.176
Monoisotopic Mass 166.06299
InChI InChI=1S/C9H10O3/c1-6(10)4-7-2-3-8(11)9(12)5-7/h2-3,5,11-12H,4H2,1H3
InChIKey JQXBETDGCMQLMK-UHFFFAOYSA-N
SMILES OC=1C=C(CC(=O)C)C=CC1O
ChEBI Ontology
Outgoing 3,4-Dihydroxyphenylacetone (CHEBI:173748) is a alkylbenzene (CHEBI:38976)
IUPAC Name
1-(3,4-dihydroxyphenyl)propan-2-one
Manual Xrefs Databases
2043147 ChemSpider
HMDB0031132 HMDB
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Registry Number Type Source
2503-44-8 CAS Registry Number ChemIDplus