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CHEBI:68994 - parfumine

ChEBI IDCHEBI:68994
ChEBI Nameparfumine
Stars
DefinitionA benzylisoquinoline alkaloid isolated from Fumaria vaillantii and Fumaria parviflora.
Secondary ChEBI IDCHEBI:7929
Last Modified1 June 2015
DownloadsMolfile
FormulaC20H19NO5
Net Charge0
Average Mass353.374
Monoisotopic Mass353.12632
SMILESCOc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2
InChIInChI=1S/C20H19NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,22H,5-6,9-10H2,1-2H3/t20-/m0/s1
InChIKeyAHNUBWYOIHCGFN-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Fumaria parviflora (IPNI:75119-3) - PubMed (22029392)
Fumaria vaillantii (ncbitaxon:367484) - PubMed (22029392)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
parfumine (CHEBI:68994) has role plant metabolite (CHEBI:76924)
parfumine (CHEBI:68994) is a azaspiro compound (CHEBI:35624)
parfumine (CHEBI:68994) is a benzylisoquinoline alkaloid (CHEBI:22750)
parfumine (CHEBI:68994) is a oxacycle (CHEBI:38104)
parfumine (CHEBI:68994) is a phenols (CHEBI:33853)
IUPAC Name 
(7S)-7'-hydroxy-6'-methoxy-2'-methyl-3',4'-dihydro-2H,2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8(6H)-one
Manual XrefsDatabases
C09599KEGG COMPOUND
C00001900KNApSAcK
Registry NumbersSources
Reaxys:4578623Reaxys
CAS:28230-70-8KEGG COMPOUND
CAS:28230-70-8ChemIDplus
Citations