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CHEBI:77048 - pavine

ChEBI IDCHEBI:77048
ChEBI Namepavine
Stars
DefinitionA racemate comprising equimolar amounts of (R,R)- and (S,S)-pavine.
Last Modified21 January 2014
SubmitterSteve
DownloadsMolfile
FormulaC20H23NO4
Net Charge0
Average Mass341.407
Monoisotopic Mass341.16271
SMILESCOc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)N1
InChIInChI=1S/C20H23NO4/c1-22-17-7-11-5-15-14-10-20(25-4)18(23-2)8-12(14)6-16(21-15)13(11)9-19(17)24-3/h7-10,15-16,21H,5-6H2,1-4H3
InChIKeySRSPZLZVGPJHJH-UHFFFAOYSA-N
Wikipedia
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)
pavine (CHEBI:77048) has part (R,R)-pavine (CHEBI:77049)
pavine (CHEBI:77048) has part (S,S)-pavine (CHEBI:77050)
pavine (CHEBI:77048) has role plant metabolite (CHEBI:76924)
pavine (CHEBI:77048) is a racemate (CHEBI:60911)
pavine (CHEBI:77048) is conjugate base of pavine(1+) (CHEBI:76921)
Incoming Relation(s)
pavine(1+) (CHEBI:76921) is conjugate acid of pavine (CHEBI:77048)
IUPAC Name 
rac-(5R,11R)-2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
Synonyms  Source
racemic pavineChEBI
(±)-pavineChEBI
rac-pavineChEBI
(5RS,11RS)-2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annuleneChEBI
Manual XrefsDatabases
Pavine_(molecule)Wikipedia
Registry NumbersSources
Reaxys:343994Reaxys
Reaxys:7495317Reaxys
Citations