EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187639 - Leachianone D

ChEBI IDCHEBI:187639
ChEBI NameLeachianone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O7
Net Charge0
Average Mass454.519
Monoisotopic Mass454.19915
SMILESC=C(C)C(/C=C/C(C)(C)O)Cc1c(O)cc(O)c2c1OC(c1ccc(O)cc1OC)CC2=O
InChIInChI=1S/C26H30O7/c1-14(2)15(8-9-26(3,4)31)10-18-19(28)12-20(29)24-21(30)13-23(33-25(18)24)17-7-6-16(27)11-22(17)32-5/h6-9,11-12,15,23,27-29,31H,1,10,13H2,2-5H3/b9-8+
InChIKeyOUUMDNLSQJEMRV-CMDGGOBGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Leachianone D (CHEBI:187639) is a flavanones (CHEBI:28863)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(E)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhex-3-enyl]-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12140480LIPID MAPS
24846509ChemSpider