input word = C00040067

Metabolite InformationStructural formula
Name Premnaspirodiene
Formula C15H24
Mw 204.18780077
CAS RN 82189-85-3
C_ID C00040067 ,
InChIKey WEZDOYDDKIHCLM-JCUKGLBFNA-N
InChICode InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1
SMILES C1C=C([C@]2([C@@H](C1)C)C[C@@H](CC2)C(=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea atropurpurea Ref.
PlantaeAsteraceaeRhaponticum carthamoides Ref.
PlantaeLabiataeLepechinia bullata Ref.
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OrganismCentaurea atropurpurea
ReferenceNovakovic, J. et al., Chem. Biodiv., 13, (2016), 1221-1229.