input word = C00003121

Metabolite InformationStructural formula
Name beta-Cubebene
Formula C15H24
Mw 204.18780077
CAS RN 13744-15-5
C_ID C00003121 ,
InChIKey FSRZGYRCMPZNJF-IJGYBCRPNA-N
InChICode InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1
SMILES C1C(=C)[C@@H]2[C@@H]3[C@@]2(C1)[C@@H](CC[C@H]3C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeAnnonaceaeXylopia parviflora Ref.
PlantaeAnnonaceaeXylopia sericea Ref.
PlantaeApiaceaeDaucus carota Ref.
PlantaeAsteraceaeCentaurea atropurpurea Ref.
PlantaeAsteraceaeCentaurea orientalis Ref.
PlantaeAsteraceaePetasites albus Ref.
PlantaeAsteraceaePetasites hybridus Ref.
PlantaeCistaceaeCistus albidus Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeLabiataeOcimum gratissimum Ref.
PlantaeLabiataeOcimum kilimandscharicim Ref.
PlantaeLabiataeOcimum tenuiflorum Ref.
PlantaeLabiataeThymus vulgaris Ref.
PlantaeMyrtaceaeAcca sellowiana Ref.
PlantaePinaceaePinus halepensis Ref.
PlantaePinaceaePinus sylvestris Ref.
PlantaePiperaceaePiper cubeba Ref.
PlantaePiperaceaePiper nigrum Ref.
PlantaeRutaceaeAtalantia guillauminii Ref.
PlantaeRutaceaeCitrus sinensis L. Ref.
PlantaeRutaceaeMurraya exotica Ref.
PlantaeRutaceaeMurraya paniculata Ref.
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OrganismThymus vulgaris
ReferenceFeriotto, G et.al, Chem. Biodiversity, 15, (2018), e1700436.