EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209338 - Peyronellone B

ChEBI IDCHEBI:209338
ChEBI NamePeyronellone B
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-BDGDQTGGSA-N
Species of MetaboliteComponentSourceComments
Didymella glomerata (ncbitaxon:749621) - PubMed (29738260)
ChEBI Ontology
Outgoing Relation(s)
Peyronellone B (CHEBI:209338) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,2R,9R,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
78441681ChemSpider