CHEBI:169267 - 3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide

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ChEBI Name 3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide
ChEBI ID CHEBI:169267
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H20O14
Net Charge 0
Average Mass 520.399
Monoisotopic Mass 520.08531
InChI InChI=1S/C23H20O14/c1-32-20-14(26)12-10(5-11-19(13(12)25)34-6-33-11)35-18(20)7-2-3-9(8(24)4-7)36-23-17(29)15(27)16(28)21(37-23)22(30)31/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31)
InChIKey CHIQYVBCRPLTQS-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(O)C=C(C=C2)C=3OC=4C(C(=O)C3OC)=C(O)C=5OCOC5C4)C(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide (CHEBI:169267) is a β-D-glucosiduronic acid (CHEBI:15341)
3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide (CHEBI:169267) is a flavonoids (CHEBI:72544)
IUPAC Name
3,4,5-trihydroxy-6-[2-hydroxy-4-(9-hydroxy-7-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)phenoxy]oxane-2-carboxylic acid
Manual Xref Database
HMDB0037757 HMDB
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