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

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ChEBI Name (R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside
ChEBI ID CHEBI:168075
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H21NO10
Net Charge 0
Average Mass 387.341
Monoisotopic Mass 387.11655
InChI InChI=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)
InChIKey VKCKUXJIUMKEJF-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2OC3=C(NC2=O)C=CC(OC)=C3OC)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing (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 Xref Database
HMDB0037262 HMDB
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