EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215494 - Palmaerone F

ChEBI IDCHEBI:215494
ChEBI NamePalmaerone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H11ClO4
Net Charge0
Average Mass242.658
Monoisotopic Mass242.03459
SMILESCOc1cc(O)c(Cl)c2c1C(=O)O[C@H](C)C2
InChIInChI=1S/C11H11ClO4/c1-5-3-6-9(11(14)16-5)8(15-2)4-7(13)10(6)12/h4-5,13H,3H2,1-2H3/t5-/m1/s1
InChIKeyUSOCQJURZDCWPN-RXMQYKEDSA-N
Species of MetaboliteComponentSourceComments
Lachnum palmae (ncbitaxon:397619) - PubMed (29421516)
ChEBI Ontology
Outgoing Relation(s)
Palmaerone F (CHEBI:215494) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-5-chloro-6-hydroxy-8-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78442175ChemSpider