input word = C00016987

Metabolite InformationStructural formula
Name (+)-Nootkatone
Nootkanone
Nootkatone
4betaH,5alpha-Eremophila-1(10),11-dien-2-one
Formula C15H22O
Mw 218.16706532
CAS RN 4674-50-4
C_ID C00016987 ,
InChIKey WTOYNNBCKUYIKC-HUEPSZFENA-N
InChICode InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1
SMILES C1C(=O)C=C2[C@]([C@@H]1C)(C[C@@H](CC2)C(=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeBupleurum chaishoui Ref.
PlantaeApiaceaeBupleurum chinense Ref.
PlantaeApiaceaeBupleurum marginatum var.stenophyllum Ref.
PlantaeApiaceaeBupleurum scornerifolium Ref.
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeAsteraceaeChrysanthemum indicum Ref.
PlantaeCaprifoliaceaePatrinia heterophylla Ref.
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
PlantaeCupressaceaeChamaecyparis nootkatensis Ref.
PlantaeCupressaceaeJuniperus brevifolia Ref.
PlantaeCupressaceaeJuniperus communis Ref.
PlantaeCupressaceaeJuniperus oxycedrus Ref.
PlantaeOrchidaceaeDendrobium nobile Ref.
PlantaeRutaceaeCitrus paradisi L. Ref.
PlantaeRutaceaeCitrus reticulata Ref.
PlantaeRutaceaeCitrus sinensis L. Ref.
PlantaeRutaceaeClausena excavata Ref.
PlantaeSchisandraceaeSchisandra chinensis Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
PlantaeZingiberaceaeAlpinia oxyphylla Ref.
--Callitropsis nootkatensis Ref.
--Vladimiria souliei Ref.
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OrganismCitrus paradisi L.
ReferenceBarton,J.Chem.Soc.,(1948),1357

Demole,Helv.Chim.Acta,66,(1983),1381