CHEBI:185160 - 3,4,5-trihydroxy-6-[2-hydroxy-6-(3-oxopropyl)phenoxy]oxane-2-carboxylic acid

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ChEBI Name 3,4,5-trihydroxy-6-[2-hydroxy-6-(3-oxopropyl)phenoxy]oxane-2-carboxylic acid
ChEBI ID CHEBI:185160
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H18O9
Net Charge 0
Average Mass 342.300
Monoisotopic Mass 342.09508
InChI InChI=1S/C15H18O9/c16-6-2-4-7-3-1-5-8(17)12(7)23-15-11(20)9(18)10(19)13(24-15)14(21)22/h1,3,5-6,9-11,13,15,17-20H,2,4H2,(H,21,22)
InChIKey HMMPRDNOKOKWJD-UHFFFAOYSA-N
SMILES O1C(OC2=C(CCC=O)C=CC=C2O)C(O)C(O)C(O)C1C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 3,4,5-trihydroxy-6-[2-hydroxy-6-(3-oxopropyl)phenoxy]oxane-2-carboxylic acid (CHEBI:185160) is a glycoside (CHEBI:24400)
IUPAC Name
3,4,5-trihydroxy-6-[2-hydroxy-6-(3-oxopropyl)phenoxy]oxane-2-carboxylic acid
Manual Xref Database
HMDB0134063 HMDB
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