DIMBOA (CHEBI:18048)

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CHEBI:18048 - DIMBOA

ChEBI ID	CHEBI:18048
ChEBI Name	DIMBOA
Stars
Definition	A lactol that is DIBOA in which the hydrogen at position 7 is replaced by a methoxy group. It has been isolated from the maize plants.
Secondary ChEBI IDs	CHEBI:913, CHEBI:11442, CHEBI:19354
Last Modified	19 August 2015
Downloads	Molfile

Formula	C9H9NO5
Net Charge	0
Average Mass	211.173
Monoisotopic Mass	211.04807
SMILES	COc1ccc2c(c1)OC(O)C(=O)N2O
InChI	InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
InChIKey	GDNZNIJPBQATCZ-UHFFFAOYSA-N

Wikipedia

Roles Classification

Biological Roles:

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.

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	DIMBOA (CHEBI:18048) has functional parent DIBOA (CHEBI:63558)
	DIMBOA (CHEBI:18048) has role allelochemical (CHEBI:62215)
	DIMBOA (CHEBI:18048) has role plant metabolite (CHEBI:76924)
	DIMBOA (CHEBI:18048) is a aromatic ether (CHEBI:35618)
	DIMBOA (CHEBI:18048) is a benzoxazine (CHEBI:46969)
	DIMBOA (CHEBI:18048) is a cyclic hydroxamic acid (CHEBI:23445)
	DIMBOA (CHEBI:18048) is a lactol (CHEBI:38131)
Incoming Relation(s)
Incoming Relation(s)	DIMBOA glucoside (CHEBI:16603) has functional parent DIMBOA (CHEBI:18048)

IUPAC Name
2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one

Synonyms	Source
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one	KEGG COMPOUND
2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one	ChemIDplus
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one	KEGG COMPOUND
2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one	KEGG COMPOUND

UniProt Name	Source
DIMBOA	UniProt

Manual Xrefs	Databases
C04720	KEGG COMPOUND
DIMBOA	Wikipedia
HMDB0034864	HMDB
C00026498	KNApSAcK

Registry Numbers	Sources
Reaxys:1078658	Reaxys
CAS:15893-52-4	ChemIDplus
CAS:15893-52-4	KEGG COMPOUND

Citations