input word = C00021285

Metabolite InformationStructural formula
Name 3-Isopatchoulene
Formula C15H24
Mw 204.18780077
CAS RN 2552-44-5
C_ID C00021285 ,
InChIKey YEBOXUNNOGASSF-DFFZABTKNA-N
InChICode InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15+/m1/s1
SMILES C1=C([C@H]2[C@]3(C1)[C@@H](CC[C@H](C2)C3(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCyperus scariosus Ref.
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OrganismCyperus scariosus
ReferenceUppal,Phytochem.,23,(1984),2367