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CHEBI:207971 - Talaraculone E

ChEBI IDCHEBI:207971
ChEBI NameTalaraculone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O9
Net Charge0
Average Mass420.414
Monoisotopic Mass420.14203
SMILESCOC(OC)C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1
InChIInChI=1S/C21H24O9/c1-10-5-12(22)8-14(23)17(10)19(25)30-18-13-9-29-15(20(27-3)28-4)6-11(13)7-16(24)21(18,2)26/h5-8,13,18,20,22-23,26H,9H2,1-4H3/t13-,18+,21-/m1/s1
InChIKeyBAEBOEILJIPDEA-LZHZSBQWSA-N
Species of MetaboliteComponentSourceComments
Talaromyces aculeatus (ncbitaxon:36649) - PubMed (28749670)
ChEBI Ontology
Outgoing Relation(s)
Talaraculone E (CHEBI:207971) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(7S,8S,8aS)-3-(dimethoxymethyl)-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] 2,4-dihydroxy-6-methylbenzoate
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78441652ChemSpider