EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185974 - Derrichalcone

ChEBI IDCHEBI:185974
ChEBI NameDerrichalcone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O7
Net Charge0
Average Mass452.503
Monoisotopic Mass452.18350
SMILESCO[C@@H]1[C@@H](O)c2c3c(c(O)c(C(=O)/C=C/c4ccc(O)cc4)c2OC1(C)C)C=CC(C)(C)O3
InChIInChI=1S/C26H28O7/c1-25(2)13-12-16-20(29)18(17(28)11-8-14-6-9-15(27)10-7-14)23-19(22(16)32-25)21(30)24(31-5)26(3,4)33-23/h6-13,21,24,27,29-30H,1-5H3/b11-8+/t21-,24+/m0/s1
InChIKeyLJHGFVOYNHBEEI-JSICGULGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Derrichalcone (CHEBI:185974) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-1-[(9R,10S)-5,10-dihydroxy-9-methoxy-2,2,8,8-tetramethyl-9,10-dihydropyrano[2,3-]chromen-6-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Manual XrefsDatabases
LMPK12120261LIPID MAPS
24845982ChemSpider