input word = C00054251

Metabolite InformationStructural formula
Name 11(1->10)-Abeo-1-patchoulene
Formula C15H24
Mw 204.18780077
CAS RN 53823-16-8
C_ID C00054251
InChIKey CGKPYZICXYDFLF-NWJSVONSSA-N
InChICode InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h6,10-12H,5,7-9H2,1-4H3/t10-,11+,12-,15-/m1/s1
SMILES C[C@@H]1CC=C2[C@@H]1C[C@@H]1CC[C@@]2(C)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePogostemon cablin Ref.
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OrganismPogostemon cablin
ReferenceBuchi, G. et al., JACS, 1961, 83, 927 (isol, struct)