input word = C00021227

Metabolite InformationStructural formula
Name alpha-Gurjunene
Formula C15H24
Mw 204.18780077
CAS RN 489-40-7
C_ID C00021227 ,
InChIKey SPCXZDDGSGTVAW-KRXFYZNUNA-N
InChICode InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1
SMILES C1C[C@H]2C(=C1C)[C@H]1[C@@H](CC[C@H]2C)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcoraceaeAcorus calamus Ref.
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeAnnonaceaeCananga odorata Ref.
PlantaeApiaceaeApium graveolens Ref.
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAsteraceaePhagnalon sordidum Ref.
PlantaeAsteraceaeRhaponticum carthamoides Ref.
PlantaeAsteraceaeTanacetum macrophyllum Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeCistaceaeCistus creticus Ref.
PlantaeCyperaceaeCyperus rotundus L. Ref.
PlantaeDipterocarpaceaeDipterocarpus dyeri Ref.
PlantaeLabiataeSalvia officinalis Ref.
PlantaeLabiataeThymus broussonetti Ref.
PlantaeLabiataeThymus maroccanus Ref.
PlantaeLabiataeThymus praecos Ref.
PlantaeMeliaceaeAzadirachta indica Ref.
PlantaeMeliaceaeGuarea macrophylla ssp.tuberculata Ref.
PlantaeMyrtaceaeLeptospermum scoparium Ref.
PlantaeMyrtaceaeMyrtus communis Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaePiperaceaePiper arboreum Ref.
PlantaePiperaceaePiper fimbriulatum Ref.
PlantaePiperaceaePiper nigrum Ref.
PlantaePiperaceaePiper obliquum Ref.
PlantaeRutaceaeMurraya paniculata Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
--Balsamum tolutanum Ref.
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OrganismThymus broussonetti
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.