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CHEBI:214640 - Scalbucillin D

ChEBI IDCHEBI:214640
ChEBI NameScalbucillin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESC/C=C/CCC(=O)c1cc(C)c(OC)cc1O
InChIInChI=1S/C14H18O3/c1-4-5-6-7-12(15)11-8-10(2)14(17-3)9-13(11)16/h4-5,8-9,16H,6-7H2,1-3H3/b5-4+
InChIKeyZIGZPFKMYVVARN-SNAWJCMRSA-N
Species of MetaboliteComponentSourceComments
Scytalidium (ncbitaxon:5538) - PubMed (25248727)
ChEBI Ontology
Outgoing Relation(s)
Scalbucillin D (CHEBI:214640) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(E)-1-(2-hydroxy-4-methoxy-5-methylphenyl)hex-4-en-1-one
Manual XrefsDatabases
78435530ChemSpider