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CHEBI:167942 - xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside

ChEBI IDCHEBI:167942
ChEBI Namexi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O8
Net Charge0
Average Mass356.371
Monoisotopic Mass356.14712
SMILESO=C(O)CC(CCc1ccccc1)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C17H24O8/c18-9-12-14(21)15(22)16(23)17(25-12)24-11(8-13(19)20)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-18,21-23H,6-9H2,(H,19,20)
InChIKeyHRYIDVZLDQBLFF-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)
xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside (CHEBI:167942) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
5-phenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid
Manual XrefsDatabases
HMDB0031695HMDB
17614400ChemSpider