input word = C00011967

Metabolite InformationStructural formula
Name Sesquithujene
Formula C15H24
Mw 204.18780077
CAS RN 58319-06-5
C_ID C00011967 ,
InChIKey UCQHFDKBUHCAFR-UHFFFAOYNA-N
InChICode InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3/t13-,14+,15+/m0/s1
SMILES [C@@H]12C(=CC[C@@]1(C2)[C@@H](C)CCC=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus limettioides Ref.
PlantaeRutaceaeMurraya paniculata Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
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OrganismCitrus limettioides
ReferenceAndrade, M. et al., Molecules, 21, (2016), 814