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CHEBI:186873 - Lehmannin

ChEBI IDCHEBI:186873
ChEBI NameLehmannin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O5
Net Charge0
Average Mass408.494
Monoisotopic Mass408.19367
SMILESC=C(C)C(CC=C(C)C)Cc1c(O)ccc2c1OC(c1ccc(O)cc1O)CC2=O
InChIInChI=1S/C25H28O5/c1-14(2)5-6-16(15(3)4)11-20-21(27)10-9-19-23(29)13-24(30-25(19)20)18-8-7-17(26)12-22(18)28/h5,7-10,12,16,24,26-28H,3,6,11,13H2,1-2,4H3
InChIKeyJUKXEUCJMRWMTL-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)
Lehmannin (CHEBI:186873) is a flavanones (CHEBI:28863)
IUPAC Name 
2-(2,4-dihydroxyphenyl)-7-hydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12140077LIPID MAPS
3562446ChemSpider