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CHEBI:168617 - DIMBOA-Glc

ChEBI IDCHEBI:168617
ChEBI NameDIMBOA-Glc
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H19NO10
Net Charge0
Average Mass373.314
Monoisotopic Mass373.10090
SMILESCOc1ccc2c(c1)OC(OC1OC(CO)C(O)C(O)C1O)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
InChIKeyWTGXAWKVZMQEDA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
DIMBOA-Glc (CHEBI:168617) is a glycoside (CHEBI:24400)
IUPAC Name 
4-hydroxy-7-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
Manual XrefsDatabases
3678276ChemSpider
HMDB0029710HMDB