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CHEBI:221030 - 3-(3,6-dihydroxy-4,5-dimethoxycyclohexa-1,4-dien-1-yl)butan-2-one

ChEBI IDCHEBI:221030
ChEBI Name3-(3,6-dihydroxy-4,5-dimethoxycyclohexa-1,4-dien-1-yl)butan-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O5
Net Charge0
Average Mass242.271
Monoisotopic Mass242.11542
SMILESCOC1=C(OC)C(O)C(C(C)C(C)=O)=CC1O
InChIInChI=1S/C12H18O5/c1-6(7(2)13)8-5-9(14)11(16-3)12(17-4)10(8)15/h5-6,9-10,14-15H,1-4H3
InChIKeyUJZDFPDTYYDIPI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malbranchea (ncbitaxon:5040) - PubMed (14763557)
ChEBI Ontology
Outgoing Relation(s)
3-(3,6-dihydroxy-4,5-dimethoxycyclohexa-1,4-dien-1-yl)butan-2-one (CHEBI:221030) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
3-(3,6-dihydroxy-4,5-dimethoxycyclohexa-1,4-dien-1-yl)butan-2-one
Manual XrefsDatabases
78444211ChemSpider