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CHEBI:207963 - Talaraculone D

ChEBI IDCHEBI:207963
ChEBI NameTalaraculone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O9
Net Charge0
Average Mass404.371
Monoisotopic Mass404.11073
SMILESCOC(=O)C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1
InChIInChI=1S/C20H20O9/c1-9-4-11(21)7-13(22)16(9)19(25)29-17-12-8-28-14(18(24)27-3)5-10(12)6-15(23)20(17,2)26/h4-7,12,17,21-22,26H,8H2,1-3H3/t12-,17+,20-/m1/s1
InChIKeyJFPLMYGECRJMOY-GIJMVEMTSA-N
Species of MetaboliteComponentSourceComments
Talaromyces aculeatus (ncbitaxon:36649) - PubMed (28749670)
ChEBI Ontology
Outgoing Relation(s)
Talaraculone D (CHEBI:207963) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
methyl (7S,8S,8aS)-8-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromene-3-carboxylate
Manual XrefsDatabases
78441651ChemSpider