input word = C00052715

Metabolite InformationStructural formula
Name Acetonyldimethylcarbinol
4-Hydroxy-4-methyl-2-pentanone
Diacetone alcohol
Formula C6H12O2
Mw 116.08372963
CAS RN 123-42-2
C_ID C00052715
InChIKey SWXVUIWOUIDPGS-UHFFFAOYSA-N
InChICode InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
SMILES CC(=O)CC(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona muricata Ref.
PlantaeAnnonaceaeXylopia parviflora Ref.
PlantaeLabiataeClinopodium nepeta Ref.
PlantaeRosaceaeRubus arcticus Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeTheaceaeCamellia sinensis Ref.
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OrganismNicotiana tabacum
Referencehttps://doi.org/10.1016/j.indcrop.2012.02.029