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CHEBI:167924 - 4-{hydroxy[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]methylidene}cyclohexa-2,5-dien-1-one

ChEBI IDCHEBI:167924
ChEBI Name4-{hydroxy[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]methylidene}cyclohexa-2,5-dien-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O8
Net Charge0
Average Mass300.263
Monoisotopic Mass300.08452
SMILESO=C(OCC1OC(O)C(O)C(O)C1O)c1ccc(O)cc1
InChIInChI=1S/C13H16O8/c14-7-3-1-6(2-4-7)12(18)20-5-8-9(15)10(16)11(17)13(19)21-8/h1-4,8-11,13-17,19H,5H2
InChIKeyKBOQXAVWJMJUBC-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)
4-{hydroxy[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]methylidene}cyclohexa-2,5-dien-1-one (CHEBI:167924) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 4-hydroxybenzoate
Manual XrefsDatabases
HMDB0125107HMDB