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CHEBI:207989 - Talaraculone B

ChEBI IDCHEBI:207989
ChEBI NameTalaraculone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O8
Net Charge0
Average Mass400.383
Monoisotopic Mass400.11582
SMILESCc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(/C=C/C=O)=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/h3-9,15,19,23-24,27H,10H2,1-2H3/b4-3+/t15-,19+,21-/m1/s1
InChIKeyOKIVTNBUGXLXFX-XWEVTOJWSA-N
Species of MetaboliteComponentSourceComments
Talaromyces aculeatus (ncbitaxon:36649) - PubMed (28749670)
ChEBI Ontology
Outgoing Relation(s)
Talaraculone B (CHEBI:207989) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(7S,8S,8aS)-7-hydroxy-7-methyl-6-oxo-3-[(E)-3-oxoprop-1-enyl]-8,8a-dihydro-1H-isochromen-8-yl] 2,4-dihydroxy-6-methylbenzoate
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