input word = C00052597

Metabolite InformationStructural formula
Name 2,4-Bis(1,1-dimethylethyl)phenol
2,4-Di-tert-butylphenol
Formula C14H22O
Mw 206.16706532
CAS RN 96-76-4
C_ID C00052597
InChIKey ICKWICRCANNIBI-UHFFFAOYSA-N
InChICode InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
SMILES CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaePinaceaePinus sibirica Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
--Caffea sp. Ref.
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