input word = C00056174

Metabolite InformationStructural formula
Name Thymyl isobutyrate
Formula C14H20O2
Mw 220.14632988
CAS RN 5451-67-2
C_ID C00056174
InChIKey HTPVUEJWIFHSCK-UHFFFAOYSA-N
InChICode InChI=1S/C14H20O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h6-10H,1-5H3
SMILES Cc1ccc(C(C)C)c(OC(=O)C(C)C)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina pichinchensis var. bustamenta Ref.
PlantaeAsteraceaePhagnalon sordidum Ref.
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OrganismPhagnalon sordidum
ReferenceBrunel, M. et al., Chem. Biodiv., 13, (2016), 299-308.