EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175087 - Helipyrone

ChEBI IDCHEBI:175087
ChEBI NameHelipyrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O6
Net Charge0
Average Mass320.341
Monoisotopic Mass320.12599
SMILESCCc1oc(=O)c(Cc2c(O)c(C)c(CC)oc2=O)c(O)c1C
InChIInChI=1S/C17H20O6/c1-5-12-8(3)14(18)10(16(20)22-12)7-11-15(19)9(4)13(6-2)23-17(11)21/h18-19H,5-7H2,1-4H3
InChIKeyBYRZLWJKTOLLBX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Helipyrone (CHEBI:175087) is a pyranone (CHEBI:37963)
IUPAC Name 
6-ethyl-3-[(6-ethyl-4-hydroxy-5-methyl-2-oxopyran-3-yl)methyl]-4-hydroxy-5-methylpyran-2-one
Manual XrefsDatabases
23281708ChemSpider
HMDB0030742HMDB