CHEBI:188391 - 3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid

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ChEBI Name 3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid
ChEBI ID CHEBI:188391
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O10
Net Charge 0
Average Mass 434.397
Monoisotopic Mass 434.12130
InChI InChI=1S/C21H22O10/c22-11-3-1-2-10(6-11)18-13(23)7-9-4-5-12(8-14(9)30-18)29-21-17(26)15(24)16(25)19(31-21)20(27)28/h1-6,8,13,15-19,21-26H,7H2,(H,27,28)
InChIKey RXFNQSPRQDTYGI-UHFFFAOYSA-N
SMILES O1C(OC2=CC=3OC(C(O)CC3C=C2)C4=CC(O)=CC=C4)C(O)C(O)C(O)C1C(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-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:188391) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:188391) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
3,4,5-trihydroxy-6-[[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-2-carboxylic acid
Manual Xref Database
HMDB0135130 HMDB
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