EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210765 - Pestalone F

ChEBI IDCHEBI:210765
ChEBI NamePestalone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21ClO6
Net Charge0
Average Mass404.846
Monoisotopic Mass404.10267
SMILESCOc1cc(C)c(Cl)c(O)c1C(=O)c1c(C=O)c(O)cc(O)c1CC=C(C)C
InChIInChI=1S/C21H21ClO6/c1-10(2)5-6-12-14(24)8-15(25)13(9-23)17(12)20(26)18-16(28-4)7-11(3)19(22)21(18)27/h5,7-9,24-25,27H,6H2,1-4H3
InChIKeyVEWXMVZOXRGIAH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis neglecta (ncbitaxon:173184) - PubMed (31829592)
ChEBI Ontology
Outgoing Relation(s)
Pestalone F (CHEBI:210765) is a benzophenones (CHEBI:22726)
IUPAC Name 
2-(3-chloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-4,6-dihydroxy-3-(3-methylbut-2-enyl)benzaldehyde
Manual XrefsDatabases
81361123ChemSpider