EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208582 - Mycousfuran A

ChEBI IDCHEBI:208582
ChEBI NameMycousfuran A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O7
Net Charge0
Average Mass348.351
Monoisotopic Mass348.12090
SMILESCOC1=CC(=O)[C@@]2(C)c3c(O)c(C)c(O)c(C(C)=O)c3O[C@@]2(OC)C1
InChIInChI=1S/C18H20O7/c1-8-14(21)12(9(2)19)16-13(15(8)22)17(3)11(20)6-10(23-4)7-18(17,24-5)25-16/h6,21-22H,7H2,1-5H3/t17-,18-/m0/s1
InChIKeyKQROSALZXGEZDK-ROUUACIJSA-N
Species of MetaboliteComponentSourceComments
Mycosphaerellaspecies (ncbitaxon:1715237) - PubMed (31331101)
ChEBI Ontology
Outgoing Relation(s)
Mycousfuran A (CHEBI:208582) is a acetophenones (CHEBI:22187)
IUPAC Name 
(4aS,9bR)-6-acetyl-7,9-dihydroxy-3,4a-dimethoxy-8,9b-dimethyl-4H-dibenzouran-1-one