CHEBI:189772 - 3,4,5-trihydroxy-6-{[3,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid

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ChEBI Name 3,4,5-trihydroxy-6-{[3,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid
ChEBI ID CHEBI:189772
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H22O14
Net Charge 0
Average Mass 510.404
Monoisotopic Mass 510.10096
InChI InChI=1S/C22H22O14/c1-33-9-4-6(2-3-7(9)23)18-15(28)13(26)11-10(34-18)5-8(24)12(25)19(11)35-22-17(30)14(27)16(29)20(36-22)21(31)32/h2-5,14-18,20,22-25,27-30H,1H3,(H,31,32)
InChIKey AHEHHVHIQJMZGY-UHFFFAOYSA-N
SMILES O1C(OC=2C3=C(OC(C(O)C3=O)C4=CC(OC)=C(O)C=C4)C=C(O)C2O)C(O)C(O)C(O)C1C(O)=O
Metabolite of Species Details
Sarcophaga peregrina (NCBI:txid7386) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 3,4,5-trihydroxy-6-{[3,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid (CHEBI:189772) is a β-D-glucosiduronic acid (CHEBI:15341)
3,4,5-trihydroxy-6-{[3,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid (CHEBI:189772) is a flavonoids (CHEBI:72544)
IUPAC Name
3,4,5-trihydroxy-6-[[3,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-5-yl]oxy]oxane-2-carboxylic acid
Manual Xref Database
HMDB0128791 HMDB
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