input word = C00012777

Metabolite InformationStructural formula
Name alpha-Chenopodiol
[1R-(1alpha,2beta,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-octahydro-1-hydroxy-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol
Formula C15H26O2
Mw 238.19328007
CAS RN 67996-31-0
C_ID C00012777 ,
InChIKey LBZDGNDASDARLL-LQNFGWCTNA-N
InChICode InChI=1S/C15H26O2/c1-10-6-5-8-15(4)9-7-11(14(2,3)17)13(16)12(10)15/h6,11-13,16-17H,5,7-9H2,1-4H3/t11-,12-,13+,15-/m1/s1
SMILES C1(=CCC[C@]2([C@H]1[C@H]([C@@H](CC2)C(C)(O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium botrys Ref.
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OrganismChenopodium botrys
ReferenceDe Pascual Teresa,An.Quim.,74,(1978),91