input word = C00053701

Metabolite InformationStructural formula
Name Pregeijerene B
Formula C12H18
Mw 162.14085057
CAS RN 556799-96-3
C_ID C00053701
InChIKey HJFJPKDXNZHKGG-LFVGHESCSA-N
InChICode InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,8-9H,5-7,10H2,1-2H3/b4-3+,11-9+,12-8+
SMILES C/C1=CC/C=C/C/C(C)=C/CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus mugo subsp. Mugo Ref.
PlantaeRutaceaeMurraya paniculata Ref.
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OrganismMurraya paniculata
ReferenceAndrade, M. et al., Molecules, 21, (2016), 814