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CHEBI:206790 - Talaromyone A

Default Structure
ChEBI IDCHEBI:206790
ChEBI NameTalaromyone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O6
Net Charge0
Average Mass372.417
Monoisotopic Mass372.15729
SMILESCOc1c([C@@H](O)CC(C)C)ccc2c1C(=O)Oc1cc(C)cc(CO)c1O2
InChIInChI=1S/C21H24O6/c1-11(2)7-15(23)14-5-6-16-18(20(14)25-4)21(24)27-17-9-12(3)8-13(10-22)19(17)26-16/h5-6,8-9,11,15,22-23H,7,10H2,1-4H3/t15-/m0/s1
InChIKeyDIZUXJSZKZHMGX-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - DOI (10.1016/j.phytol.2017.04.023)
ChEBI Ontology
Outgoing Relation(s)
Talaromyone A (CHEBI:206790) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
1-(hydroxymethyl)-8-[(1S)-1-hydroxy-3-methylbutyl]-7-methoxy-3-methylbenzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
63002587ChemSpider