input word = C00012937

Metabolite InformationStructural formula
Name Atractylol
Atractylon
Atractyloxide
4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan
Formula C15H20O
Mw 216.15141526
CAS RN 6989-21-5
C_ID C00012937 ,
InChIKey TYPSVDGIQAOBAD-UYWMCZCJNA-N
InChICode InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1
SMILES C1(=C)[C@H]2[C@](CCC1)(Cc1c(C2)c(co1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAtractylis ovata Ref.
PlantaeAsteraceaeAtractylodes japonica Ref.
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