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CHEBI:63558 - DIBOA

ChEBI IDCHEBI:63558
ChEBI NameDIBOA
Stars
DefinitionA lactol that consists of 1,4-benzoxazine bearing two hydroxy substituents at positions 2 and 4 as well as a keto group at position 3.
Last Modified18 January 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC8H7NO4
Net Charge0
Average Mass181.147
Monoisotopic Mass181.03751
SMILESO=C1C(O)Oc2ccccc2N1O
InChIInChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H
InChIKeyCOVOPZQGJGUPEY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aphelandra tetragona (ncbitaxon:328118) root (BTO:0001188) PubMed (10680174)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
allelochemical  A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
phytotoxin  Any toxin produced by a plant.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
DIBOA (CHEBI:63558) has role allelochemical (CHEBI:62215)
DIBOA (CHEBI:63558) has role herbicide (CHEBI:24527)
DIBOA (CHEBI:63558) has role phytotoxin (CHEBI:38231)
DIBOA (CHEBI:63558) has role plant metabolite (CHEBI:76924)
DIBOA (CHEBI:63558) is a benzoxazine (CHEBI:46969)
DIBOA (CHEBI:63558) is a cyclic hydroxamic acid (CHEBI:23445)
DIBOA (CHEBI:63558) is a lactol (CHEBI:38131)
Incoming Relation(s)
DIBOA β-D-glucoside (CHEBI:63670) has functional parent DIBOA (CHEBI:63558)
DIMBOA (CHEBI:18048) has functional parent DIBOA (CHEBI:63558)
IUPAC Name 
2,4-dihydroxy-2H-1,4-benzoxazin-3(4H)-one
Synonyms  Source
2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-oneKEGG COMPOUND
2,4-Dihydroxy-1,4-benzoxazin-3-oneKEGG COMPOUND
2,4-Dihydroxy-1,4-benzoxazinoneChemIDplus
UniProt Name  Source
DIBOAUniProt
Manual XrefsDatabases
C15770KEGG COMPOUND
FDB011857FooDB
CPD-6365MetaCyc
HMDB0033733HMDB
C00036460KNApSAcK
Registry NumbersSources
Reaxys:1077308Reaxys
CAS:17359-54-5KEGG COMPOUND
CAS:17359-54-5ChemIDplus
Citations