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CHEBI:132647 - futoenone

ChEBI IDCHEBI:132647
ChEBI Namefutoenone
Stars
DefinitionA neolignan with formula C20H20O5 that is isolated from Magnolia sprengeri and Piper wallichii.
Last Modified14 December 2016
Submitterliuqingping
DownloadsMolfile
FormulaC20H20O5
Net Charge0
Average Mass340.375
Monoisotopic Mass340.13107
SMILESCOC1=C[C@]23C[C@H](C[C@H](c4ccc5c(c4)OCO5)[C@H]2C)OC3=CC1=O
InChIInChI=1S/C20H20O5/c1-11-14(12-3-4-16-17(5-12)24-10-23-16)6-13-8-20(11)9-18(22-2)15(21)7-19(20)25-13/h3-5,7,9,11,13-14H,6,8,10H2,1-2H3/t11-,13+,14+,20-/m1/s1
InChIKeySXHVHWXETMBKPP-KXXATPMCSA-N
Species of MetaboliteComponentSourceComments
Piper wallichii (ncbitaxon:450288) stem (BTO:0001300) PubMed (22734410)
Magnolia sprengeri (ncbitaxon:86737) - PubMed (22080044)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
futoenone (CHEBI:132647) has role plant metabolite (CHEBI:76924)
futoenone (CHEBI:132647) is a benzodioxoles (CHEBI:38298)
futoenone (CHEBI:132647) is a bridged compound (CHEBI:35990)
futoenone (CHEBI:132647) is a cyclic ketone (CHEBI:3992)
futoenone (CHEBI:132647) is a enol ether (CHEBI:47985)
futoenone (CHEBI:132647) is a enone (CHEBI:51689)
futoenone (CHEBI:132647) is a neolignan (CHEBI:25497)
futoenone (CHEBI:132647) is a organic heterotricyclic compound (CHEBI:26979)
futoenone (CHEBI:132647) is a ring assembly (CHEBI:36820)
IUPAC Name 
(2S,4S,5R,5aS)-4-(2H-1,3-benzodioxol-5-yl)-7-methoxy-5-methyl-2,3,4,5-tetrahydro-8H-2,5a-methano-1-benzoxepin-8-one
Synonyms  Source
(-)-FutoenoneKNApSAcK
OAS 1136ChEBI
Manual XrefsDatabases
C00041535KNApSAcK
Registry NumbersSources
Reaxys:6538259Reaxys
CAS:19913-01-0KNApSAcK
Citations