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CHEBI:207996 - Talaraculone C

ChEBI IDCHEBI:207996
ChEBI NameTalaraculone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O9
Net Charge0
Average Mass432.425
Monoisotopic Mass432.14203
SMILESCOC(=O)CCC1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1
InChIInChI=1S/C22H24O9/c1-11-6-13(23)9-16(24)19(11)21(27)31-20-15-10-30-14(4-5-18(26)29-3)7-12(15)8-17(25)22(20,2)28/h6-9,15,20,23-24,28H,4-5,10H2,1-3H3/t15-,20+,22-/m1/s1
InChIKeyKLWMGGWUDBVVRX-UPKQVVFYSA-N
Species of MetaboliteComponentSourceComments
Talaromyces aculeatus (ncbitaxon:36649) - PubMed (28749670)
ChEBI Ontology
Outgoing Relation(s)
Talaraculone C (CHEBI:207996) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(7S,8S,8aS)-7-hydroxy-3-(3-methoxy-3-oxopropyl)-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
78441656ChemSpider