EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204580 - Scalbucillin B

ChEBI IDCHEBI:204580
ChEBI NameScalbucillin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESC/C=C/C=C/C(=O)c1cc(CO)c(OC)cc1O
InChIInChI=1S/C14H16O4/c1-3-4-5-6-12(16)11-7-10(9-15)14(18-2)8-13(11)17/h3-8,15,17H,9H2,1-2H3/b4-3+,6-5+
InChIKeyQPLOCASDJXLMMD-VNKDHWASSA-N
Species of MetaboliteComponentSourceComments
Scytalidium (ncbitaxon:5538) - PubMed (25248727)
ChEBI Ontology
Outgoing Relation(s)
Scalbucillin B (CHEBI:204580) is a methoxybenzenes (CHEBI:51683)
Scalbucillin B (CHEBI:204580) is a phenols (CHEBI:33853)
IUPAC Name 
(2E,4E)-1-[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]hexa-2,4-dien-1-one
Manual XrefsDatabases
78435457ChemSpider