CHEBI:226987 - 1-(2,5-dihydroxyphenyl)-3-hydroxybutan-1-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 1-(2,5-dihydroxyphenyl)-3-hydroxybutan-1-one
ChEBI ID CHEBI:226987
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/c1-6(11)4-10(14)8-5-7(12)2-3-9(8)13/h2-3,5-6,11-13H,4H2,1H3/t6-/m1/s1
InChIKey WKQRFNCVSZBUJJ-ZCFIWIBFSA-N
SMILES O=C(C1=C(O)C=CC(=C1)O)C[C@H](O)C
Metabolite of Species Details
Paraconiothyrium (NCBI:txid300251) See: PubMed
ChEBI Ontology
Outgoing 1-(2,5-dihydroxyphenyl)-3-hydroxybutan-1-one (CHEBI:226987) is a aromatic ketone (CHEBI:76224)
IUPAC Name
(3R)-1-(2,5-dihydroxyphenyl)-3-hydroxybutan-1-one
Manual Xref Database
71044390 ChemSpider
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