CHEBI:188383 - 3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid

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ChEBI Name 3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid
ChEBI ID CHEBI:188383
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20O8
Net Charge 0
Average Mass 400.383
Monoisotopic Mass 400.11582
InChI InChI=1S/C21H20O8/c22-15(10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)28-21-18(25)16(23)17(24)19(29-21)20(26)27/h1-11,16-19,21,23-25H,(H,26,27)/b10-9+
InChIKey TWTQVIQWCKRMHD-MDZDMXLPSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C=C(C=CC2)C(=O)/C=C/C3=CC=CC=C3)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-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:188383) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:188383) is a glycoside (CHEBI:24400)
IUPAC Name
3,4,5-trihydroxy-6-[3-[(E)-3-phenylprop-2-enoyl]phenoxy]oxane-2-carboxylic acid
Manual Xref Database
HMDB0135447 HMDB
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