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CHEBI:207977 - Talaraculone F

ChEBI IDCHEBI:207977
ChEBI NameTalaraculone F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O8
Net Charge0
Average Mass400.383
Monoisotopic Mass400.11582
SMILESCc1cc(O)cc(O)c1C(=O)O[C@H]1C2=COC(/C=C/CO)=CC2=CC(=O)[C@@]1(C)O
InChIInChI=1S/C21H20O8/c1-11-6-13(23)9-16(24)18(11)20(26)29-19-15-10-28-14(4-3-5-22)7-12(15)8-17(25)21(19,2)27/h3-4,6-10,19,22-24,27H,5H2,1-2H3/b4-3+/t19-,21+/m0/s1
InChIKeyQKNQKIUAUKALFY-AWJROHARSA-N
Species of MetaboliteComponentSourceComments
Talaromyces aculeatus (ncbitaxon:36649) - PubMed (28749670)
ChEBI Ontology
Outgoing Relation(s)
Talaraculone F (CHEBI:207977) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(7S,8S)-7-hydroxy-3-[(E)-3-hydroxyprop-1-enyl]-7-methyl-6-oxo-8H-isochromen-8-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
78441653ChemSpider