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CHEBI:209968 - (Z)-pterulinic acid

ChEBI IDCHEBI:209968
ChEBI Name(Z)-pterulinic acid
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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-CLFYSBASSA-N
Species of MetaboliteComponentSourceComments
Pterula (ncbitaxon:104239) - PubMed (9186558)
ChEBI Ontology
Outgoing Relation(s)
(Z)-pterulinic acid (CHEBI:209968) is a oxacycle (CHEBI:38104)
IUPAC Name 
2-[(7Z)-7-(chloromethylidene)uro[3,2-h][1]benzoxepin-2-yl]acetic acid
Manual XrefsDatabases
9452734ChemSpider