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CHEBI:169624 - 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside

ChEBI IDCHEBI:169624
ChEBI Name2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21NO11
Net Charge0
Average Mass403.340
Monoisotopic Mass403.11146
SMILESCOc1ccc2c(c1OC)OC(OC1OC(CO)C(O)C(O)C1O)C(=O)N2O
InChIInChI=1S/C16H21NO11/c1-24-7-4-3-6-12(13(7)25-2)27-16(14(22)17(6)23)28-15-11(21)10(20)9(19)8(5-18)26-15/h3-4,8-11,15-16,18-21,23H,5H2,1-2H3
InChIKeyCFUFRWCJGZYVHK-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)
2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside (CHEBI:169624) is a glycoside (CHEBI:24400)
IUPAC Name 
4-hydroxy-7,8-dimethoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
Manual XrefsDatabases
HMDB0037550HMDB