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CHEBI:209002 - (+)-asperteretone A

ChEBI IDCHEBI:209002
ChEBI Name(+)-asperteretone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O6
Net Charge0
Average Mass398.455
Monoisotopic Mass398.17294
SMILESCOC(=O)[C@H](Cc1ccc(CC=C(C)C)c(O)c1)[C@@H](C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C23H26O6/c1-14(2)4-6-16-7-5-15(13-20(16)25)12-19(23(28)29-3)21(22(26)27)17-8-10-18(24)11-9-17/h4-5,7-11,13,19,21,24-25H,6,12H2,1-3H3,(H,26,27)/t19-,21+/m1/s1
InChIKeyAQEPQBQWJWTQJY-CTNGQTDRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (30271773)
ChEBI Ontology
Outgoing Relation(s)
(+)-asperteretone A (CHEBI:209002) is a phenols (CHEBI:33853)
IUPAC Name 
(2R,3R)-3-[[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]methyl]-2-(4-hydroxyphenyl)-4-methoxy-4-oxobutanoic acid
Manual XrefsDatabases
71048798ChemSpider