CHEBI:173969 - 1-(2,4,5-Trihydroxyphenyl)-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-(2,4,5-Trihydroxyphenyl)-1-butanone
ChEBI ID CHEBI:173969
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H12O4
Net Charge 0
Average Mass 196.202
Monoisotopic Mass 196.07356
InChI InChI=1S/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3
InChIKey SRUQARLMFOLRDN-UHFFFAOYSA-N
SMILES O=C(CCC)C=1C(O)=CC(O)=C(O)C1
ChEBI Ontology
Outgoing 1-(2,4,5-Trihydroxyphenyl)-1-butanone (CHEBI:173969) is a aromatic ketone (CHEBI:76224)
IUPAC Name
1-(2,4,5-trihydroxyphenyl)butan-1-one
Manual Xrefs Databases
14286 ChemSpider
HMDB0037177 HMDB
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Registry Number Type Source
1421-63-2 CAS Registry Number ChemIDplus