Met007640: Alcalinaphenol D
Metabolite Information
Name
Alcalinaphenol D
IUPAC Name
4-bromo-3-methoxy-5-methylbenzene-1,2-diol
Molecular Formula
C8H9BrO3
Molecular Weight
233.06
Exact Mass
231.97351
SMILES
CC1=CC(=C(C(=C1Br)OC)O)O
InChIKey
YXINKIWRWMPNQA-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO3/c1-4-3-5(10)7(11)8(12-2)6(4)9/h3,10-11H,1-2H3
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
Phenols
Subclass:
Methoxyphenols
Crops containing this metabolite
pear
Metabolite Spectrum Accession Label