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.
PlantaeValerianaceaeNardostachys chinensis Ref.
PlantaeValerianaceaeNardostachys jatamsi Ref.
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