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CHEBI:201835 - Benquoine

ChEBI IDCHEBI:201835
ChEBI NameBenquoine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O2
Net Charge0
Average Mass220.312
Monoisotopic Mass220.14633
SMILESC[C@H]1CCC/C=C/CC/C=C/C=C/C(=O)O1
InChIInChI=1S/C14H20O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h3,5-6,8,10,12-13H,2,4,7,9,11H2,1H3/b5-3+,8-6+,12-10+/t13-/m0/s1
InChIKeySWGHGMVUPRMHSQ-HIGNJNIISA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (21924749)
ChEBI Ontology
Outgoing Relation(s)
Benquoine (CHEBI:201835) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5E,9E,14S)-14-methyl-1-oxacyclotetradeca-3,5,9-trien-2-one
Manual XrefsDatabases
78436780ChemSpider