EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174240 - Lettucenin A

ChEBI IDCHEBI:174240
ChEBI NameLettucenin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H12O3
Net Charge0
Average Mass240.258
Monoisotopic Mass240.07864
SMILESC=C1CCc2c(C)ccc3c(C=O)c(=O)oc-3c21
InChIInChI=1S/C15H12O3/c1-8-3-6-11-12(7-16)15(17)18-14(11)13-9(2)4-5-10(8)13/h3,6-7H,2,4-5H2,1H3
InChIKeyPATCUDSVUMFCMB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Lettucenin A (CHEBI:174240) is a cycloheptafuran (CHEBI:39435)
IUPAC Name 
6-methyl-9-methylidene-2-oxo-7,8-dihydroazuleno[4,5-b]uran-3-carbaldehyde
Manual XrefsDatabases
HMDB0036738HMDB
155799ChemSpider
Registry NumbersSources
CAS:97915-46-3ChemIDplus