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CHEBI:191720 - Atrovirinone

ChEBI IDCHEBI:191720
ChEBI NameAtrovirinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O8
Net Charge0
Average Mass456.491
Monoisotopic Mass456.17842
SMILESCOC(=O)c1c(O)cc(O)cc1OC1=C(OC)C(=O)C(CC=C(C)C)=C(CC=C(C)C)C1=O
InChIInChI=1S/C25H28O8/c1-13(2)7-9-16-17(10-8-14(3)4)22(29)24(23(31-5)21(16)28)33-19-12-15(26)11-18(27)20(19)25(30)32-6/h7-8,11-12,26-27H,9-10H2,1-6H3
InChIKeyAATISISCRVORPT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
Atrovirinone (CHEBI:191720) is a ubiquinones (CHEBI:16389)
IUPAC Name 
methyl 2,4-dihydroxy-6-[2-methoxy-4,5-bis(3-methylbut-2-enyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]oxybenzoate
Manual XrefsDatabases
8157073ChemSpider
HMDB0036981HMDB