EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:167859 - Methyl 2-hydroxy-4-{3-[(4-oxo-3-phenyl-4h-chromen-7-yl)oxy]propoxy}-3-propylbenzoate

ChEBI IDCHEBI:167859
ChEBI NameMethyl 2-hydroxy-4-{3-[(4-oxo-3-phenyl-4h-chromen-7-yl)oxy]propoxy}-3-propylbenzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H28O7
Net Charge0
Average Mass488.536
Monoisotopic Mass488.18350
SMILESCCCc1c(OCCCOc2ccc3c(=O)c(-c4ccccc4)coc3c2)ccc(C(=O)OC)c1O
InChIInChI=1S/C29H28O7/c1-3-8-21-25(14-13-23(27(21)30)29(32)33-2)35-16-7-15-34-20-11-12-22-26(17-20)36-18-24(28(22)31)19-9-5-4-6-10-19/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3
InChIKeyUHNCBDAISLKSSI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Methyl 2-hydroxy-4-{3-[(4-oxo-3-phenyl-4h-chromen-7-yl)oxy]propoxy}-3-propylbenzoate (CHEBI:167859) is a isoflavones (CHEBI:38757)
IUPAC Name 
methyl 2-hydroxy-4-[3-(4-oxo-3-phenylchromen-7-yl)oxypropoxy]-3-propylbenzoate
Manual XrefsDatabases
20172570ChemSpider