EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16603 - DIMBOA glucoside

ChEBI IDCHEBI:16603
ChEBI NameDIMBOA glucoside
Stars
DefinitionA cyclic hydroxamic acid that is DIMBOA attached to a β-D-glucopyranosyl residue at position 2 via a glycosidic linkage.
Secondary ChEBI IDsCHEBI:914, CHEBI:4287, CHEBI:11443, CHEBI:19355
Last Modified2 February 2015
DownloadsMolfile
FormulaC15H19NO10
Net Charge0
Average Mass373.314
Monoisotopic Mass373.10090
SMILESCOc1ccc2c(c1)OC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2O
InChIInChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15?/m1/s1
InChIKeyWTGXAWKVZMQEDA-XGHDNVSXSA-N
Species of MetaboliteComponentSourceComments
Triticum aestivum (ncbitaxon:4565) - PubMed (24254087)
Roles Classification
Biological Role:
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 glucoside (CHEBI:16603) has functional parent DIMBOA (CHEBI:18048)
DIMBOA glucoside (CHEBI:16603) has role plant metabolite (CHEBI:76924)
DIMBOA glucoside (CHEBI:16603) is a benzoxazine (CHEBI:46969)
DIMBOA glucoside (CHEBI:16603) is a cyclic hydroxamic acid (CHEBI:23445)
DIMBOA glucoside (CHEBI:16603) is a β-D-glucoside (CHEBI:22798)
Incoming Relation(s)
(2R)-DIMBOA glucoside (CHEBI:37573) is a DIMBOA glucoside (CHEBI:16603)
IUPAC Name 
4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside
Synonyms  Source
2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one glucosideKEGG COMPOUND
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-D-glucosideKEGG COMPOUND
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-D-glucosideKEGG COMPOUND
DIMBOA glucosideKEGG COMPOUND
Manual XrefsDatabases
C00001538KNApSAcK
C04831KEGG COMPOUND
HMDB0029710HMDB
Registry NumbersSources
Reaxys:1230506Reaxys
CAS:18607-79-9KEGG COMPOUND
Citations