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KNApSAcK Metabolite Information - C00054067


input word = C00054067

Metabolite InformationStructural formula
Name Benzeneboronic acid
Formula C6H7BO2
Mw 111.04460447
CAS RN 98-80-6
C_ID C00054067
InChIKey HXITXNWTGFUOAU-UHFFFAOYSA-N
InChICode InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
SMILES OB(O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeVaccinium macrocarpon Ref.
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OrganismVaccinium macrocarpon
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 2, 1136B (ir)