EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209966 - Falconensin P

ChEBI IDCHEBI:209966
ChEBI NameFalconensin P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26Cl2O8
Net Charge0
Average Mass513.370
Monoisotopic Mass512.10047
SMILESCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)c(Cl)c(O)c(Cl)c3OC)[C@@H](OC(C)=O)[C@@H]2CO1
InChIInChI=1S/C24H26Cl2O8/c1-6-7-14-8-13-9-16(28)24(4,22(33-12(3)27)15(13)10-32-14)34-23(30)17-11(2)18(25)20(29)19(26)21(17)31-5/h8-9,15,22,29H,6-7,10H2,1-5H3/t15-,22+,24+/m1/s1
InChIKeyFEVGNLASGQEGNA-LIAVLPADSA-N
Species of MetaboliteComponentSourceComments
Aspergillus falconensis (ncbitaxon:1810910) - PubMed (32290208)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Falconensin P (CHEBI:209966) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
[(7R,8S,8aS)-8-acetyloxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
Manual XrefsDatabases
81624558ChemSpider