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CHEBI:185365 - Bartericin C

ChEBI IDCHEBI:185365
ChEBI NameBartericin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O5
Net Charge0
Average Mass408.494
Monoisotopic Mass408.19367
SMILESCC1(C)CCc2cc(/C=C/C(=O)c3cc4c(cc3O)OC(C(C)(C)O)C4)ccc2O1
InChIInChI=1S/C25H28O5/c1-24(2)10-9-16-11-15(6-8-21(16)30-24)5-7-19(26)18-12-17-13-23(25(3,4)28)29-22(17)14-20(18)27/h5-8,11-12,14,23,27-28H,9-10,13H2,1-4H3/b7-5+
InChIKeyYSOHJTIJBIMQNH-FNORWQNLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Bartericin C (CHEBI:185365) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-1-[6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]prop-2-en-1-one
Manual XrefsDatabases
24845870ChemSpider
LMPK12120031LIPID MAPS