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CHEBI:209333 - Peyronellone A

ChEBI IDCHEBI:209333
ChEBI NamePeyronellone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O6
Net Charge0
Average Mass334.368
Monoisotopic Mass334.14164
SMILESCC[C@@H](C)[C@]12OC(=O)[C@]3(O)C[C@H](O1)c1c(cc(O)c(C)c1O)[C@]23C
InChIInChI=1S/C18H22O6/c1-5-8(2)18-16(4)10-6-11(19)9(3)14(20)13(10)12(23-18)7-17(16,22)15(21)24-18/h6,8,12,19-20,22H,5,7H2,1-4H3/t8-,12+,16+,17-,18-/m1/s1
InChIKeyRHIUTYRDTYSZNQ-GQLHBCAKSA-N
Species of MetaboliteComponentSourceComments
Didymella glomerata (ncbitaxon:749621) - PubMed (29738260)
ChEBI Ontology
Outgoing Relation(s)
Peyronellone A (CHEBI:209333) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1S,2S,9S,11R)-11-[(2R)-butan-2-yl]-1,5,7-trihydroxy-2,6-dimethyl-10,12-dioxatetracyclo[7.4.1.02,11.03,8]tetradeca-3,5,7-trien-13-one
Manual XrefsDatabases
78441680ChemSpider