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CHEBI:168404 - 3,4,5-trihydroxy-6-(3-phenylpropoxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:168404
ChEBI Name3,4,5-trihydroxy-6-(3-phenylpropoxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O7
Net Charge0
Average Mass312.318
Monoisotopic Mass312.12090
SMILESO=C(O)C1OC(OCCCc2ccccc2)C(O)C(O)C1O
InChIInChI=1S/C15H20O7/c16-10-11(17)13(14(19)20)22-15(12(10)18)21-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10-13,15-18H,4,7-8H2,(H,19,20)
InChIKeyYOSCEDHKXUAGCX-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)
3,4,5-trihydroxy-6-(3-phenylpropoxy)oxane-2-carboxylic acid (CHEBI:168404) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-(3-phenylpropoxy)oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135312HMDB