input word = C00021286

Metabolite InformationStructural formula
Name alpha-Patchoulene
Formula C15H24
Mw 204.18780077
CAS RN 560-32-7
C_ID C00021286 ,
InChIKey KVQOADNSNSUAJT-PTYUTRKINA-N
InChICode InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h5,10,12-13H,6-9H2,1-4H3/t10-,12?,13-,15-/m0/s1
SMILES C1[C@@H]([C@H]2[C@]3(C1)C(=CC[C@@H](C2)C3(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOcimum kilimandscharicim Ref.
PlantaeLabiataePogostemon cablin Ref.
PlantaeValerianaceaeNardostachys jatamansi Ref.
PlantaeZygophyllaceaeBulnesia sarmienti Ref.
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