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CHEBI:168075 - (R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside

ChEBI IDCHEBI:168075
ChEBI Name(R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21NO10
Net Charge0
Average Mass387.341
Monoisotopic Mass387.11655
SMILESCOc1ccc2c(c1OC)OC(OC1OC(CO)C(O)C(O)C1O)C(=O)N2
InChIInChI=1S/C16H21NO10/c1-23-7-4-3-6-12(13(7)24-2)26-16(14(22)17-6)27-15-11(21)10(20)9(19)8(5-18)25-15/h3-4,8-11,15-16,18-21H,5H2,1-2H3,(H,17,22)
InChIKeyVKCKUXJIUMKEJF-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)
(R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside (CHEBI:168075) is a glycoside (CHEBI:24400)
IUPAC Name 
7,8-dimethoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one
Manual XrefsDatabases
HMDB0037262HMDB