EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200168 - (9R,14S)-epoxy-11-deoxyfunicone

ChEBI IDCHEBI:200168
ChEBI Name(9R,14S)-epoxy-11-deoxyfunicone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O8
Net Charge0
Average Mass374.345
Monoisotopic Mass374.10017
SMILESC/C=C/C1=CC(=O)[C@]2(C(=O)c3c(OC)cc(OC)cc3C(=O)OC)O[C@@H]2O1
InChIInChI=1S/C19H18O8/c1-5-6-10-9-14(20)19(18(26-10)27-19)16(21)15-12(17(22)25-4)7-11(23-2)8-13(15)24-3/h5-9,18H,1-4H3/b6-5+/t18-,19+/m0/s1
InChIKeyMBAPGCKKDRYSNP-OBNUAKFSSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies WC-29-5 (ncbitaxon:1478159) - PubMed (24714124)
ChEBI Ontology
Outgoing Relation(s)
(9R,14S)-epoxy-11-deoxyfunicone (CHEBI:200168) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl 3,5-dimethoxy-2-[(1S,6R)-5-oxo-3-[(E)-prop-1-enyl]-2,7-dioxabicyclo[4.1.0]hept-3-ene-6-carbonyl]benzoate
Manual XrefsDatabases
32675014ChemSpider