input word = C00053547

Metabolite InformationStructural formula
Name Neomenthyl acetate
Formula C12H22O2
Mw 198.16197995
CAS RN 2230-87-7
C_ID C00053547
InChIKey XHXUANMFYXWVNG-USWWRNFRSA-N
InChICode InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12+/m1/s1
SMILES C[C@H]1C[C@H](OC(C)=O)[C@H](C(C)C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeMandragora autumnalis Ref.
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