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CHEBI:205495 - Calocerin D

ChEBI IDCHEBI:205495
ChEBI NameCalocerin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H7ClO4
Net Charge0
Average Mass238.626
Monoisotopic Mass238.00329
SMILESO=C(O)c1ccc2c(c1)C=CO/C(=C\Cl)O2
InChIInChI=1S/C11H7ClO4/c12-6-10-15-4-3-7-5-8(11(13)14)1-2-9(7)16-10/h1-6H,(H,13,14)/b10-6+
InChIKeyIFAHBGLLMAAYNN-UXBLZVDNSA-N
Species of MetaboliteComponentSourceComments
Favolaschia calocera (ncbitaxon:181918) - PubMed (27745908)
ChEBI Ontology
Outgoing Relation(s)
Calocerin D (CHEBI:205495) is a benzenoid aromatic compound (CHEBI:33836)
IUPAC Name 
(2E)-2-(chloromethylidene)-1,3-benzodioxepine-7-carboxylic acid
Manual XrefsDatabases
78435854ChemSpider