input word = C00002654

Metabolite InformationStructural formula
Name Guaiacol
o-Guaiacol
Formula C7H8O2
Mw 124.0524295
CAS RN 90-05-1
C_ID C00002654 ,
InChIKey LHGVFZTZFXWLCP-UHFFFAOYSA-N
InChICode InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
SMILES c1ccc(c(c1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
PlantaeBetulaceaeBetula sp. Ref.
PlantaeCruciferaeBrassica hirta Ref.
PlantaeIlliciaceaeIllicium fargesii Ref.
PlantaeMeliaceaeMelia azadirach Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeRubiaceaeCoffea canephora Ref.
PlantaeZygophyllaceaeGuaiacum officinale Ref.
--FOOD SAKE Ref.
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OrganismCoffea arabica
Referencede Melo Pereira, G. V. et al., Food Chemistry 272, (2019), 441-452.