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CHEBI:168271 - 2-(4-benzoyl-3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

ChEBI IDCHEBI:168271
ChEBI Name2-(4-benzoyl-3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O9
Net Charge0
Average Mass392.360
Monoisotopic Mass392.11073
SMILESO=C(c1ccccc1)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1O
InChIInChI=1S/C19H20O9/c20-8-13-16(24)17(25)18(26)19(28-13)27-10-6-11(21)14(12(22)7-10)15(23)9-4-2-1-3-5-9/h1-7,13,16-22,24-26H,8H2
InChIKeyPBLDEFPSRXYPKB-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-benzoyl-3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:168271) is a glycoside (CHEBI:24400)
IUPAC Name 
[2,6-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-phenylmethanone
Manual XrefsDatabases
HMDB0137957HMDB