CHEBI:188373 - 3,4,5-trihydroxy-6-{4-[3-oxo-3-(2,3,4,6-tetrahydroxyphenyl)propyl]phenoxy}oxane-2-carboxylic acid

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ChEBI Name 3,4,5-trihydroxy-6-{4-[3-oxo-3-(2,3,4,6-tetrahydroxyphenyl)propyl]phenoxy}oxane-2-carboxylic acid
ChEBI ID CHEBI:188373
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O12
Net Charge 0
Average Mass 466.395
Monoisotopic Mass 466.11113
InChI InChI=1S/C21H22O12/c22-10(13-11(23)7-12(24)14(25)15(13)26)6-3-8-1-4-9(5-2-8)32-21-18(29)16(27)17(28)19(33-21)20(30)31/h1-2,4-5,7,16-19,21,23-29H,3,6H2,(H,30,31)
InChIKey RXOUSSLDPXRDIG-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=CC=C(CCC(=O)C3=C(O)C(O)=C(O)C=C3O)C=C2)C(O)=O
Metabolite of Species Details
Mus musculus (NCBITAXON:10090) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing 3,4,5-trihydroxy-6-{4-[3-oxo-3-(2,3,4,6-tetrahydroxyphenyl)propyl]phenoxy}oxane-2-carboxylic acid (CHEBI:188373) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-{4-[3-oxo-3-(2,3,4,6-tetrahydroxyphenyl)propyl]phenoxy}oxane-2-carboxylic acid (CHEBI:188373) is a glycoside (CHEBI:24400)
IUPAC Name
3,4,5-trihydroxy-6-[4-[3-oxo-3-(2,3,4,6-tetrahydroxyphenyl)propyl]phenoxy]oxane-2-carboxylic acid
Manual Xref Database
HMDB0130253 HMDB
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