EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186239 - Pollenitin 8-butyrate

ChEBI IDCHEBI:186239
ChEBI NamePollenitin 8-butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O8
Net Charge0
Average Mass386.356
Monoisotopic Mass386.10017
SMILESCCCC(=O)Oc1c(OC)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12
InChIInChI=1S/C20H18O8/c1-3-4-14(23)27-19-13(26-2)9-12(22)15-16(24)17(25)18(28-20(15)19)10-5-7-11(21)8-6-10/h5-9,21-22,25H,3-4H2,1-2H3
InChIKeyCUVUBURTEQFLLZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Pollenitin 8-butyrate (CHEBI:186239) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
[3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl] butanoate
Manual XrefsDatabases
LMPK12113168LIPID MAPS
24845701ChemSpider