CHEBI:173857 - 1-(2,4-Dihydroxyphenyl)-1-butanone

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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 1-(2,4-Dihydroxyphenyl)-1-butanone
ChEBI ID CHEBI:173857
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H12O3
Net Charge 0
Average Mass 180.203
Monoisotopic Mass 180.07864
InChI InChI=1S/C10H12O3/c1-2-3-9(12)8-5-4-7(11)6-10(8)13/h4-6,11,13H,2-3H2,1H3
InChIKey IWADIQGGJLCBRK-UHFFFAOYSA-N
SMILES O=C(CCC)C1=C(O)C=C(O)C=C1
ChEBI Ontology
Outgoing 1-(2,4-Dihydroxyphenyl)-1-butanone (CHEBI:173857) is a aromatic ketone (CHEBI:76224)
IUPAC Name
1-(2,4-dihydroxyphenyl)butan-1-one
Manual Xrefs Databases
70480 ChemSpider
HMDB0032128 HMDB
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Registry Number Type Source
4390-92-5 CAS Registry Number ChemIDplus