EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217491 - Repraesentin E

ChEBI IDCHEBI:217491
ChEBI NameRepraesentin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCC1CC2=C(COC2=O)CC2CC(C)(C(=O)O)C(O)C12
InChIInChI=1S/C15H20O5/c1-7-3-10-9(6-20-13(10)17)4-8-5-15(2,14(18)19)12(16)11(7)8/h7-8,11-12,16H,3-6H2,1-2H3,(H,18,19)
InChIKeyVGLFPPRJHYACEV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lactarius repraesentaneus (ncbitaxon:239216) - PubMed (16794335)
ChEBI Ontology
Outgoing Relation(s)
Repraesentin E (CHEBI:217491) is a terpene lactone (CHEBI:37668)
IUPAC Name 
6-hydroxy-5,7-dimethyl-3-oxo-1,4,5,5a,6,8,8a,9-octahydroazuleno[5,6-c]uran-7-carboxylic acid
Manual XrefsDatabases
78444315ChemSpider