EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193321 - Wharangin

ChEBI IDCHEBI:193321
ChEBI NameWharangin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H12O8
Net Charge0
Average Mass344.275
Monoisotopic Mass344.05322
SMILESCOc1c(-c2ccc(O)c(O)c2)oc2c3c(cc(O)c2c1=O)OCO3
InChIInChI=1S/C17H12O8/c1-22-17-13(21)12-10(20)5-11-15(24-6-23-11)16(12)25-14(17)7-2-3-8(18)9(19)4-7/h2-5,18-20H,6H2,1H3
InChIKeyNOZQEJFGIXKUPM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Wharangin (CHEBI:193321) is a ether (CHEBI:25698)
Wharangin (CHEBI:193321) is a flavonoids (CHEBI:72544)
IUPAC Name 
8-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-[1,3]dioxolo[4,5-h]chromen-6-one
Manual XrefsDatabases
HMDB0037754HMDB
24845773ChemSpider
LMPK12113260LIPID MAPS