input word = C00003168

Metabolite InformationStructural formula
Name Patchouli alcohol
Formula C15H26O
Mw 222.19836545
CAS RN 5986-55-0
C_ID C00003168 ,
InChIKey GGHMUJBZYLPWFD-YSJMOEHBNA-N
InChICode InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,14-,15+/m0/s1
SMILES C1[C@@H]([C@@H]2[C@]3([C@@](C1)(C([C@H](CC3)C2)(C)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePogostemon cablin Ref.
PlantaeLabiataePogostemon patchouli Pellet. Ref.
PlantaeMagnoliaceaeMagnolia liliiflora Ref.
PlantaeRutaceaeMurraya paniculata Ref.
PlantaeValerianaceaeNardostachys chinensis Ref.
PlantaeValerianaceaeNardostachys jatamsi Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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OrganismPogostemon patchouli Pellet.
ReferenceBuchi,J.Am.Chem.Soc.,88,(1966),3109

Klein,Tetrahedron Lett.,(1969),2279

Tesseire,Recherches,19,(1974),8