EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221948 - Acremonone B

ChEBI IDCHEBI:221948
ChEBI NameAcremonone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O6
Net Charge0
Average Mass266.249
Monoisotopic Mass266.07904
SMILESCOc1cc(O)c2c(c1C)[C@@](O)(C(C)=O)COC2=O
InChIInChI=1S/C13H14O6/c1-6-9(18-3)4-8(15)10-11(6)13(17,7(2)14)5-19-12(10)16/h4,15,17H,5H2,1-3H3/t13-/m0/s1
InChIKeyVVIPRHLOSFFLHI-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (22524636)
ChEBI Ontology
Outgoing Relation(s)
Acremonone B (CHEBI:221948) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
4-acetyl-4,8-dihydroxy-6-methoxy-5-methyl-3H-isochromen-1-one
Manual XrefsDatabases
29214602ChemSpider