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

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ChEBI Name xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside
ChEBI ID CHEBI:167942
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H24O8
Net Charge 0
Average Mass 356.371
Monoisotopic Mass 356.14712
InChI InChI=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)
InChIKey HRYIDVZLDQBLFF-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC(CCC2=CC=CC=C2)CC(O)=O)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 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 Xrefs Databases
17614400 ChemSpider
HMDB0031695 HMDB
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