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CHEBI:209291 - (E)-[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl]-2,4-dihydroxy-6-methyl-3-(3-oxobut-1-en-yl)benzoate

Default Structure
ChEBI IDCHEBI:209291
ChEBI Name(E)-[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl]-2,4-dihydroxy-6-methyl-3-(3-oxobut-1-en-yl)benzoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O8
Net Charge0
Average Mass414.410
Monoisotopic Mass414.13147
SMILESCOC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(/C=C/C(C)=O)c2O)c(C)c1O
InChIInChI=1S/C22H22O8/c1-10-8-15(24)14(7-6-12(3)23)20(26)18(10)22(28)30-16-9-11(2)17(21(27)29-5)19(25)13(16)4/h6-9,24-26H,1-5H3/b7-6+
InChIKeyMGUYGOJYPVSXEQ-VOTSOKGWSA-N
Species of MetaboliteComponentSourceComments
Stereocaulon evolutum (ncbitaxon:373699) - PubMed (25793970)
ChEBI Ontology
Outgoing Relation(s)
(E)-[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl]-2,4-dihydroxy-6-methyl-3-(3-oxobut-1-en-yl)benzoate (CHEBI:209291) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 2,4-dihydroxy-6-methyl-3-[(E)-3-oxobut-1-enyl]benzoate
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78435991ChemSpider