EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199873 - (E)-pterulinic acid

ChEBI IDCHEBI:199873
ChEBI Name(E)-pterulinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H11ClO4
Net Charge0
Average Mass290.702
Monoisotopic Mass290.03459
SMILESO=C(O)Cc1cc2cc3c(cc2o1)OC/C(=C/Cl)C=C3
InChIInChI=1S/C15H11ClO4/c16-7-9-1-2-10-3-11-4-12(5-15(17)18)20-14(11)6-13(10)19-8-9/h1-4,6-7H,5,8H2,(H,17,18)/b9-7+
InChIKeyMMKVRUNBWGNULK-VQHVLOKHSA-N
Species of MetaboliteComponentSourceComments
Pterula (ncbitaxon:104239) - PubMed (9186558)
ChEBI Ontology
Outgoing Relation(s)
(E)-pterulinic acid (CHEBI:199873) is a oxacycle (CHEBI:38104)
IUPAC Name 
2-[(7E)-7-(chloromethylidene)uro[3,2-h][1]benzoxepin-2-yl]acetic acid
Manual XrefsDatabases
8215461ChemSpider