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CHEBI:4789 - Encecalin

ChEBI IDCHEBI:4789
ChEBI NameEncecalin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H16O3
Net Charge0
Average Mass232.279
Monoisotopic Mass232.10994
SMILESCOc1cc2c(cc1C(C)=O)C=CC(C)(C)O2
InChIInChI=1S/C14H16O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-8H,1-4H3
InChIKeyWXVLCNREBFDEKS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Encecalin (CHEBI:4789) is a 1-benzopyran (CHEBI:38443)
Synonym  Source
EncecalinKEGG COMPOUND
Manual XrefsDatabases
C09005KEGG COMPOUND
C00002426KNApSAcK
Registry NumbersSources
CAS:20628-09-5KEGG COMPOUND