EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215467 - Palmaerone B

ChEBI IDCHEBI:215467
ChEBI NamePalmaerone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H11BrO4
Net Charge0
Average Mass287.109
Monoisotopic Mass285.98407
SMILESCOc1c(Br)c(O)cc2c1C(=O)O[C@H](C)C2
InChIInChI=1S/C11H11BrO4/c1-5-3-6-4-7(13)9(12)10(15-2)8(6)11(14)16-5/h4-5,13H,3H2,1-2H3/t5-/m1/s1
InChIKeyRHBTWFSXOYIWCJ-RXMQYKEDSA-N
Species of MetaboliteComponentSourceComments
Lachnum palmae (ncbitaxon:397619) - PubMed (29421516)
ChEBI Ontology
Outgoing Relation(s)
Palmaerone B (CHEBI:215467) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-7-bromo-6-hydroxy-8-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78442171ChemSpider