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CHEBI:207983 - Talaraculone A

ChEBI IDCHEBI:207983
ChEBI NameTalaraculone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O8
Net Charge0
Average Mass416.426
Monoisotopic Mass416.14712
SMILESCc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(/C=C/[C@H](C)O)=CC2=CC(=O)[C@@]1(C)O
InChIInChI=1S/C22H24O8/c1-11-6-14(24)9-17(25)19(11)21(27)30-20-16-10-29-15(5-4-12(2)23)7-13(16)8-18(26)22(20,3)28/h4-9,12,16,20,23-25,28H,10H2,1-3H3/b5-4+/t12-,16+,20-,22+/m0/s1
InChIKeyQNOKACNOBYOPFU-VFRXZMMBSA-N
Species of MetaboliteComponentSourceComments
Talaromyces aculeatus (ncbitaxon:36649) - PubMed (28749670)
ChEBI Ontology
Outgoing Relation(s)
Talaraculone A (CHEBI:207983) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(7S,8S,8aS)-7-hydroxy-3-[(E,3S)-3-hydroxybut-1-enyl]-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] 2,4-dihydroxy-6-methylbenzoate
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78441654ChemSpider