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CHEBI:199851 - ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-oxo-2,3-dihydrobenzofuran-3-yl)-4-(7-acetyl-4,6-dihydroxy-3,5-dimethylbenzofuran-2-yl)-3-oxobutanoate

ChEBI IDCHEBI:199851
ChEBI Nameethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-oxo-2,3-dihydrobenzofuran-3-yl)-4-(7-acetyl-4,6-dihydroxy-3,5-dimethylbenzofuran-2-yl)-3-oxobutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H30O12
Net Charge0
Average Mass582.558
Monoisotopic Mass582.17373
SMILESCCOC(=O)CC(=O)C(c1oc2c(C(C)=O)c(O)c(C)c(O)c2c1C)C1(C)C(=O)Oc2c(C(C)=O)c(O)c(C)c(O)c21
InChIInChI=1S/C30H30O12/c1-8-40-16(34)9-15(33)20(26-10(2)17-22(35)11(3)23(36)18(13(5)31)27(17)41-26)30(7)21-25(38)12(4)24(37)19(14(6)32)28(21)42-29(30)39/h20,35-38H,8-9H2,1-7H3
InChIKeyIQFPDFBETPHDNB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Dolichousnea longissima (ncbitaxon:281306) - PubMed (24498887)
ChEBI Ontology
Outgoing Relation(s)
ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-oxo-2,3-dihydrobenzofuran-3-yl)-4-(7-acetyl-4,6-dihydroxy-3,5-dimethylbenzofuran-2-yl)-3-oxobutanoate (CHEBI:199851) is a benzofurans (CHEBI:35259)
IUPAC Name 
ethyl 4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzouran-2-yl)-4-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-oxo-1-benzouran-3-yl)-3-oxobutanoate
Manual XrefsDatabases
78434645ChemSpider